4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine

C16H27N3O — CID 64534098

IUPAC4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCC(C)N1CCOC(CNc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H27N3O/c1-13(2)19-9-10-20-16(12-19)11-17-14-5-7-15(8-6-14)18(3)4/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyUTEROUIOUSKMJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.27
Rot. Bonds5

About 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine (PubChem CID 64534098) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
PubChem CID64534098
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine
SMILESCC(C)N1CCOC(CNc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C16H27N3O/c1-13(2)19-9-10-20-16(12-19)11-17-14-5-7-15(8-6-14)18(3)4/h5-8,13,16-17H,9-12H2,1-4H3
InChIKeyUTEROUIOUSKMJA-UHFFFAOYSA-N
XLogP2.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 64534290
3-propan-2-yl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533496
2,3,4-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533688
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
CID 64533897
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
N'-cyclopentyl-N'-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 64534517

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine (CID 64534098) is 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine is CC(C)N1CCOC(CNc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine?
The InChIKey is UTEROUIOUSKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19-9-10-20-16(12-19)11-17-14-5-7-15(8-6-14)18(3)4/h5-8,13,16-17H,9-12H2,1-4H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine has a molecular weight of 277.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 64534098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).