4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine

C15H19N3 — CID 82183785

IUPAC4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
SMILESCN(Cc1ccccc1)Cc1ccc(N)c(N)c1
InChIInChI=1S/C15H19N3/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11,16-17H2,1H3
InChIKeyRBESPDJTGQDKSB-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.48
Rot. Bonds4

About 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine

4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine (PubChem CID 82183785) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
PubChem CID82183785
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
SMILESCN(Cc1ccccc1)Cc1ccc(N)c(N)c1
InChIInChI=1S/C15H19N3/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11,16-17H2,1H3
InChIKeyRBESPDJTGQDKSB-UHFFFAOYSA-N
XLogP2.48
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(N-methylanilino)methyl]benzene-1,2-diamine
CID 82183980
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-chloro-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 43587699
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
N-[(4-boranyl-3-fluorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 88897051
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
2-bromo-5-[[(4-fluorophenyl)methyl-methylamino]methyl]aniline
CID 115557025

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine (CID 82183785) is 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine is CN(Cc1ccccc1)Cc1ccc(N)c(N)c1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine?
The InChIKey is RBESPDJTGQDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h2-9H,10-11,16-17H2,1H3.
What are the key properties of 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine?
4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine is sourced from PubChem (CID 82183785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).