N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride

C11H16Cl3N — CID 160563522

IUPACN-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NCCCl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-9(14-7-6-12)8-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
InChIKeyQZPWEACGIVTJSO-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.52
Rot. Bonds5

About N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride

N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride (PubChem CID 160563522) has the molecular formula C11H16Cl3N and a molecular weight of 268.62 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
PubChem CID160563522
Molecular FormulaC11H16Cl3N
Molecular Weight268.62 g/mol
Exact Mass267.03
IUPAC NameN-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1)NCCCl.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-9(14-7-6-12)8-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H
InChIKeyQZPWEACGIVTJSO-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride 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

N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylbutan-1-amine
CID 43677577
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 103910232
1-(4-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 103911360

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride (CID 160563522) is N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride is CC(Cc1ccc(Cl)cc1)NCCCl.Cl.
What is the InChIKey of N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride?
The InChIKey is QZPWEACGIVTJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-9(14-7-6-12)8-10-2-4-11(13)5-3-10;/h2-5,9,14H,6-8H2,1H3;1H.
What are the key properties of N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride?
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride has a molecular weight of 268.62 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 160563522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).