N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine

C17H20ClN — CID 78950390

IUPACN-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-4-6-17(18)7-5-15/h4-10,14,19H,11H2,1-3H3
InChIKeyLFLHZSOQABXEIL-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.81
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine

N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 78950390) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
PubChem CID78950390
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(C)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-4-6-17(18)7-5-15/h4-10,14,19H,11H2,1-3H3
InChIKeyLFLHZSOQABXEIL-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43080713
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 129398374

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine (CID 78950390) is N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(C)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is LFLHZSOQABXEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-8-13(2)10-16(9-12)14(3)19-11-15-4-6-17(18)7-5-15/h4-10,14,19H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine?
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 78950390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).