2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine

C17H20ClN — CID 60687979

IUPAC2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-13-9-14(2)11-16(10-13)12-19-8-7-15-3-5-17(18)6-4-15/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyCOMKTCDJZRPNBT-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 60687979) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID60687979
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-13-9-14(2)11-16(10-13)12-19-8-7-15-3-5-17(18)6-4-15/h3-6,9-11,19H,7-8,12H2,1-2H3
InChIKeyCOMKTCDJZRPNBT-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
N-[(3,5-dimethylphenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 61218332
N-[(3-chloro-4-fluorophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 81143847
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-(4-chlorophenyl)ethanamine
CID 102830826
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine (CID 60687979) is 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine is Cc1cc(C)cc(CNCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is COMKTCDJZRPNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-9-14(2)11-16(10-13)12-19-8-7-15-3-5-17(18)6-4-15/h3-6,9-11,19H,7-8,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.29, 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-[(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 60687979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).