2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine

C17H24N4 — CID 22662329

IUPAC2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine
SMILESCC(NCc1ccc(N(C)C)cc1)c1cc(N)ccc1N
InChIInChI=1S/C17H24N4/c1-12(16-10-14(18)6-9-17(16)19)20-11-13-4-7-15(8-5-13)21(2)3/h4-10,12,20H,11,18-19H2,1-3H3
InChIKeyTZHIISNKWOHTPM-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.77
Rot. Bonds5

About 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine

2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine (PubChem CID 22662329) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine
PubChem CID22662329
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine
SMILESCC(NCc1ccc(N(C)C)cc1)c1cc(N)ccc1N
InChIInChI=1S/C17H24N4/c1-12(16-10-14(18)6-9-17(16)19)20-11-13-4-7-15(8-5-13)21(2)3/h4-10,12,20H,11,18-19H2,1-3H3
InChIKeyTZHIISNKWOHTPM-UHFFFAOYSA-N
XLogP2.77
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-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-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28624330
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-N-[[4-(dimethylamino)phenyl]methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476450
4-[(3-methoxybutan-2-ylamino)methyl]-N,N-dimethylaniline
CID 113259919
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine?
The IUPAC name of 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine (CID 22662329) is 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine is CC(NCc1ccc(N(C)C)cc1)c1cc(N)ccc1N.
What is the InChIKey of 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine?
The InChIKey is TZHIISNKWOHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(16-10-14(18)6-9-17(16)19)20-11-13-4-7-15(8-5-13)21(2)3/h4-10,12,20H,11,18-19H2,1-3H3.
What are the key properties of 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine?
2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]benzene-1,4-diamine is sourced from PubChem (CID 22662329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).