4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine

C18H19N3 — CID 103000471

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
SMILESCc1ccccc1CN(C)c1ccnc2cc(N)ccc12
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-14(13)12-21(2)18-9-10-20-17-11-15(19)7-8-16(17)18/h3-11H,12,19H2,1-2H3
InChIKeyYAIUINZXVBAWJN-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine

4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine (PubChem CID 103000471) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
PubChem CID103000471
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
SMILESCc1ccccc1CN(C)c1ccnc2cc(N)ccc12
InChIInChI=1S/C18H19N3/c1-13-5-3-4-6-14(13)12-21(2)18-9-10-20-17-11-15(19)7-8-16(17)18/h3-11H,12,19H2,1-2H3
InChIKeyYAIUINZXVBAWJN-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
CID 113367573
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
CID 103001497
4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
CID 103000505

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine (CID 103000471) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine is Cc1ccccc1CN(C)c1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine?
The InChIKey is YAIUINZXVBAWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-5-3-4-6-14(13)12-21(2)18-9-10-20-17-11-15(19)7-8-16(17)18/h3-11H,12,19H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine has a molecular weight of 277.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine is sourced from PubChem (CID 103000471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).