2-(4-chlorophenyl)butane-1,4-diamine

C10H15ClN2 — CID 82076304

IUPAC2-(4-chlorophenyl)butane-1,4-diamine
SMILESNCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2
InChIKeyYALRNODJDLYNIN-UHFFFAOYSA-N
MW198.70 g/mol
LogP1.73
Rot. Bonds4

About 2-(4-chlorophenyl)butane-1,4-diamine

2-(4-chlorophenyl)butane-1,4-diamine (PubChem CID 82076304) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)butane-1,4-diamine
PubChem CID82076304
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(4-chlorophenyl)butane-1,4-diamine
SMILESNCCC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2
InChIKeyYALRNODJDLYNIN-UHFFFAOYSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)butane-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

2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-phenylbutane-1,4-diamine
CID 16770348
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
3,3-bis(4-chlorophenyl)propan-1-amine
CID 15014585
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)butane-1,4-diamine?
The IUPAC name of 2-(4-chlorophenyl)butane-1,4-diamine (CID 82076304) is 2-(4-chlorophenyl)butane-1,4-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)butane-1,4-diamine?
The canonical SMILES for 2-(4-chlorophenyl)butane-1,4-diamine is NCCC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)butane-1,4-diamine?
The InChIKey is YALRNODJDLYNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-10-3-1-8(2-4-10)9(7-13)5-6-12/h1-4,9H,5-7,12-13H2.
What are the key properties of 2-(4-chlorophenyl)butane-1,4-diamine?
2-(4-chlorophenyl)butane-1,4-diamine has a molecular weight of 198.70 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)butane-1,4-diamine is sourced from PubChem (CID 82076304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).