3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine

C18H19N3 — CID 79231162

IUPAC3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CN(C)c2cccc(N)c2)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-10-14(17-8-3-4-9-18(17)20-13)12-21(2)16-7-5-6-15(19)11-16/h3-11H,12,19H2,1-2H3
InChIKeyAMUOXSGQTQGLOB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.76
Rot. Bonds3

About 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine

3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine (PubChem CID 79231162) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
PubChem CID79231162
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CN(C)c2cccc(N)c2)c2ccccc2n1
InChIInChI=1S/C18H19N3/c1-13-10-14(17-8-3-4-9-18(17)20-13)12-21(2)16-7-5-6-15(19)11-16/h3-11H,12,19H2,1-2H3
InChIKeyAMUOXSGQTQGLOB-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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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine (CID 79231162) is 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine is Cc1cc(CN(C)c2cccc(N)c2)c2ccccc2n1.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine?
The InChIKey is AMUOXSGQTQGLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-10-14(17-8-3-4-9-18(17)20-13)12-21(2)16-7-5-6-15(19)11-16/h3-11H,12,19H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine?
3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-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 3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 79231162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).