4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C86H104BrN15 — CID 158252771

About 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158252771) has the molecular formula C86H104BrN15 and a molecular weight of 1427.79 g/mol. Its IUPAC name is 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
• PubChem CID: 158252771
• Molecular Formula: C86H104BrN15
• Molecular Weight: 1427.79 g/mol
• Exact Mass: 1425.78
• IUPAC Name: 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
• SMILES: CCc1cc(Br)ccc1N.CCc1cc(C2=CCCCC2)ccc1N.CCc1cc(C2=CCCCC2)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2=CCCCC2)ccc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2=CCNCC2)ccc1N(C)c1cc2c(cn1)ncn2C
• InChI: InChI=1S/C22H26N4.C21H25N5.C21H24N4.C14H19N.C8H10BrN/c1-4-16-12-18(17-8-6-5-7-9-17)10-11-20(16)26(3)22-13-21-19(14-23-22)24-15-25(21)2;1-4-15-11-17(16-7-9-22-10-8-16)5-6-19(15)26(3)21-12-20-18(13-23-21)24-14-25(20)2;1-3-15-11-17(16-7-5-4-6-8-16)9-10-18(15)24-21-12-20-19(13-22-21)23-14-25(20)2;1-2-11-10-13(8-9-14(11)15)12-6-4-3-5-7-12;1-2-6-5-7(9)3-4-8(6)10/h8,10-15H,4-7,9H2,1-3H3;5-7,11-14,22H,4,8-10H2,1-3H3;7,9-14H,3-6,8H2,1-2H3,(H,22,24);6,8-10H,2-5,7,15H2,1H3;3-5H,2,10H2,1H3
• InChIKey: GGXMQJMIKIDLRI-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 174.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1427.79
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The IUPAC name of 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158252771) is 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

What is the SMILES notation for 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The canonical SMILES for 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CCc1cc(Br)ccc1N.CCc1cc(C2=CCCCC2)ccc1N.CCc1cc(C2=CCCCC2)ccc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2=CCCCC2)ccc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2=CCNCC2)ccc1N(C)c1cc2c(cn1)ncn2C.

What is the InChIKey of 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

The InChIKey is GGXMQJMIKIDLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4.C21H25N5.C21H24N4.C14H19N.C8H10BrN/c1-4-16-12-18(17-8-6-5-7-9-17)10-11-20(16)26(3)22-13-21-19(14-23-22)24-15-25(21)2;1-4-15-11-17(16-7-9-22-10-8-16)5-6-19(15)26(3)21-12-20-18(13-23-21)24-14-25(20)2;1-3-15-11-17(16-7-5-4-6-8-16)9-10-18(15)24-21-12-20-19(13-22-21)23-14-25(20)2;1-2-11-10-13(8-9-14(11)15)12-6-4-3-5-7-12;1-2-6-5-7(9)3-4-8(6)10/h8,10-15H,4-7,9H2,1-3H3;5-7,11-14,22H,4,8-10H2,1-3H3;7,9-14H,3-6,8H2,1-2H3,(H,22,24);6,8-10H,2-5,7,15H2,1H3;3-5H,2,10H2,1H3.

What are the key properties of 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?

4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 1427.79 g/mol, XLogP of 20.55, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-ethylaniline;4-(cyclohexen-1-yl)-2-ethylaniline;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-ethylphenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;N-[2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158252771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).