1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine

C15H18N2 — CID 43165465

IUPAC1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C15H18N2/c1-12-10-14(16)8-9-15(12)17(2)11-13-6-4-3-5-7-13/h3-10H,11,16H2,1-2H3
InChIKeyPAYUBRVHTJEMGH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.21
Rot. Bonds3

About 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine

1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine (PubChem CID 43165465) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
PubChem CID43165465
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1N(C)Cc1ccccc1
InChIInChI=1S/C15H18N2/c1-12-10-14(16)8-9-15(12)17(2)11-13-6-4-3-5-7-13/h3-10H,11,16H2,1-2H3
InChIKeyPAYUBRVHTJEMGH-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
2-(4-amino-N,2-dimethylanilino)acetic acid
CID 62253488
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
N-benzyl-N,2,5-trimethylaniline
CID 15439716
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
4-benzyl-3-methylaniline
CID 12846586
aniline;N-benzyl-N-methylaniline
CID 163577424
5-amino-2-[(3-bromophenyl)methyl-methylamino]benzoic acid
CID 61416177
5-N-benzyl-5-N,3-dimethylisoquinoline-5,8-diamine
CID 102712904
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine (CID 43165465) is 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine is Cc1cc(N)ccc1N(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is PAYUBRVHTJEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-10-14(16)8-9-15(12)17(2)11-13-6-4-3-5-7-13/h3-10H,11,16H2,1-2H3.
What are the key properties of 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine?
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43165465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).