4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde

C84H113N15O8 — CID 158071244

IUPAC4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde
SMILESCN(C)CCCOc1ccc2c(c1)nc(-c1ccc(-c3nc4ccc(OCCCN(C)C)cc4n3C)cc1)n2C.CN(C)CCCOc1ccc2nc(-c3ccc(C=O)cc3)n(C)c2c1.CNc1cc(OCCCN(C)C)ccc1N.CNc1ccc(OCCCN(C)C)cc1N.COc1ccc(C=O)cc1
InChIInChI=1S/C32H40N6O2.C20H23N3O2.2C12H21N3O.C8H8O2/c1-35(2)17-7-19-39-25-14-16-29-28(21-25)34-32(37(29)5)24-11-9-23(10-12-24)31-33-27-15-13-26(22-30(27)38(31)6)40-20-8-18-36(3)4;1-22(2)11-4-12-25-17-9-10-18-19(13-17)23(3)20(21-18)16-7-5-15(14-24)6-8-16;1-14-12-6-5-10(9-11(12)13)16-8-4-7-15(2)3;1-14-12-9-10(5-6-11(12)13)16-8-4-7-15(2)3;1-10-8-4-2-7(6-9)3-5-8/h9-16,21-22H,7-8,17-20H2,1-6H3;5-10,13-14H,4,11-12H2,1-3H3;2*5-6,9,14H,4,7-8,13H2,1-3H3;2-6H,1H3
InChIKeyFLVOOVHNQTWWDR-UHFFFAOYSA-N
MW1460.92 g/mol
LogP13.63
Rot. Bonds33

About 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde

4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde (PubChem CID 158071244) has the molecular formula C84H113N15O8 and a molecular weight of 1460.92 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde
PubChem CID158071244
Molecular FormulaC84H113N15O8
Molecular Weight1460.92 g/mol
Exact Mass1459.89
IUPAC Name4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde
SMILESCN(C)CCCOc1ccc2c(c1)nc(-c1ccc(-c3nc4ccc(OCCCN(C)C)cc4n3C)cc1)n2C.CN(C)CCCOc1ccc2nc(-c3ccc(C=O)cc3)n(C)c2c1.CNc1cc(OCCCN(C)C)ccc1N.CNc1ccc(OCCCN(C)C)cc1N.COc1ccc(C=O)cc1
InChIInChI=1S/C32H40N6O2.C20H23N3O2.2C12H21N3O.C8H8O2/c1-35(2)17-7-19-39-25-14-16-29-28(21-25)34-32(37(29)5)24-11-9-23(10-12-24)31-33-27-15-13-26(22-30(27)38(31)6)40-20-8-18-36(3)4;1-22(2)11-4-12-25-17-9-10-18-19(13-17)23(3)20(21-18)16-7-5-15(14-24)6-8-16;1-14-12-6-5-10(9-11(12)13)16-8-4-7-15(2)3;1-14-12-9-10(5-6-11(12)13)16-8-4-7-15(2)3;1-10-8-4-2-7(6-9)3-5-8/h9-16,21-22H,7-8,17-20H2,1-6H3;5-10,13-14H,4,11-12H2,1-3H3;2*5-6,9,14H,4,7-8,13H2,1-3H3;2-6H,1H3
InChIKeyFLVOOVHNQTWWDR-UHFFFAOYSA-N
XLogP13.63
TPSA235.28 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.92
LogP ≤ 513.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde?
The IUPAC name of 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde (CID 158071244) is 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde is CN(C)CCCOc1ccc2c(c1)nc(-c1ccc(-c3nc4ccc(OCCCN(C)C)cc4n3C)cc1)n2C.CN(C)CCCOc1ccc2nc(-c3ccc(C=O)cc3)n(C)c2c1.CNc1cc(OCCCN(C)C)ccc1N.CNc1ccc(OCCCN(C)C)cc1N.COc1ccc(C=O)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde?
The InChIKey is FLVOOVHNQTWWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2.C20H23N3O2.2C12H21N3O.C8H8O2/c1-35(2)17-7-19-39-25-14-16-29-28(21-25)34-32(37(29)5)24-11-9-23(10-12-24)31-33-27-15-13-26(22-30(27)38(31)6)40-20-8-18-36(3)4;1-22(2)11-4-12-25-17-9-10-18-19(13-17)23(3)20(21-18)16-7-5-15(14-24)6-8-16;1-14-12-6-5-10(9-11(12)13)16-8-4-7-15(2)3;1-14-12-9-10(5-6-11(12)13)16-8-4-7-15(2)3;1-10-8-4-2-7(6-9)3-5-8/h9-16,21-22H,7-8,17-20H2,1-6H3;5-10,13-14H,4,11-12H2,1-3H3;2*5-6,9,14H,4,7-8,13H2,1-3H3;2-6H,1H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde?
4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde has a molecular weight of 1460.92 g/mol, XLogP of 13.63, 33 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]-1-N-methylbenzene-1,2-diamine;4-[3-(dimethylamino)propoxy]-2-N-methylbenzene-1,2-diamine;4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]benzaldehyde;3-[2-[4-[6-[3-(dimethylamino)propoxy]-1-methylbenzimidazol-2-yl]phenyl]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine;4-methoxybenzaldehyde is sourced from PubChem (CID 158071244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).