2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride

C16H19Cl2N — CID 17206419

IUPAC2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(17)9-7-14;/h2-9,18H,10-12H2,1H3;1H
InChIKeyBXQQTZKTQLFDLV-UHFFFAOYSA-N
MW296.24 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17206419) has the molecular formula C16H19Cl2N and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
PubChem CID17206419
Molecular FormulaC16H19Cl2N
Molecular Weight296.24 g/mol
Exact Mass295.09
IUPAC Name2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
SMILESCc1ccc(CNCCc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H18ClN.ClH/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(17)9-7-14;/h2-9,18H,10-12H2,1H3;1H
InChIKeyBXQQTZKTQLFDLV-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;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

2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 60687979
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 115213247
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
2-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 144851881
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride (CID 17206419) is 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride is Cc1ccc(CNCCc2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is BXQQTZKTQLFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN.ClH/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(17)9-7-14;/h2-9,18H,10-12H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride?
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 296.24 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17206419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).