4-[(N-methylanilino)methyl]benzene-1,2-diamine

C14H17N3 — CID 82183980

IUPAC4-[(N-methylanilino)methyl]benzene-1,2-diamine
SMILESCN(Cc1ccc(N)c(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-17(12-5-3-2-4-6-12)10-11-7-8-13(15)14(16)9-11/h2-9H,10,15-16H2,1H3
InChIKeyGODRVZDLAAVDSY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.49
Rot. Bonds3

About 4-[(N-methylanilino)methyl]benzene-1,2-diamine

4-[(N-methylanilino)methyl]benzene-1,2-diamine (PubChem CID 82183980) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(N-methylanilino)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[(N-methylanilino)methyl]benzene-1,2-diamine
PubChem CID82183980
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[(N-methylanilino)methyl]benzene-1,2-diamine
SMILESCN(Cc1ccc(N)c(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-17(12-5-3-2-4-6-12)10-11-7-8-13(15)14(16)9-11/h2-9H,10,15-16H2,1H3
InChIKeyGODRVZDLAAVDSY-UHFFFAOYSA-N
XLogP2.49
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.49
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-[[benzyl(methyl)amino]methyl]benzene-1,2-diamine
CID 82183785
aniline;N-benzyl-N-methylaniline
CID 163577424
N,N-dimethyl-3-[(N-methylanilino)methyl]aniline
CID 99811191
2-chloro-4-[(N-methylanilino)methyl]phenol
CID 82974348
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
3-[(3-amino-4-bromophenyl)methyl-methylamino]phenol
CID 107733829
3-[(N-methylanilino)methyl]benzenecarbothioamide
CID 24698703
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylanilino)methyl]benzene-1,2-diamine?
The IUPAC name of 4-[(N-methylanilino)methyl]benzene-1,2-diamine (CID 82183980) is 4-[(N-methylanilino)methyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[(N-methylanilino)methyl]benzene-1,2-diamine?
The canonical SMILES for 4-[(N-methylanilino)methyl]benzene-1,2-diamine is CN(Cc1ccc(N)c(N)c1)c1ccccc1.
What is the InChIKey of 4-[(N-methylanilino)methyl]benzene-1,2-diamine?
The InChIKey is GODRVZDLAAVDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(12-5-3-2-4-6-12)10-11-7-8-13(15)14(16)9-11/h2-9H,10,15-16H2,1H3.
What are the key properties of 4-[(N-methylanilino)methyl]benzene-1,2-diamine?
4-[(N-methylanilino)methyl]benzene-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylanilino)methyl]benzene-1,2-diamine is sourced from PubChem (CID 82183980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).