1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine

C17H20ClN — CID 82782567

IUPAC1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
SMILESCCc1ccc(-c2ccc(C(C)NC)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-4-13-5-7-14(8-6-13)15-9-10-16(12(2)19-3)17(18)11-15/h5-12,19H,4H2,1-3H3
InChIKeyKNPAVFVTKSKICH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.85
Rot. Bonds4

About 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine

1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine (PubChem CID 82782567) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
PubChem CID82782567
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
SMILESCCc1ccc(-c2ccc(C(C)NC)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-4-13-5-7-14(8-6-13)15-9-10-16(12(2)19-3)17(18)11-15/h5-12,19H,4H2,1-3H3
InChIKeyKNPAVFVTKSKICH-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-4-ethylphenyl)-N-methylethanamine;ethane
CID 142237879
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
1-[2-chloro-4-[(4-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 114790583
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
CID 137427176
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine (CID 82782567) is 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine is CCc1ccc(-c2ccc(C(C)NC)c(Cl)c2)cc1.
What is the InChIKey of 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine?
The InChIKey is KNPAVFVTKSKICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-13-5-7-14(8-6-13)15-9-10-16(12(2)19-3)17(18)11-15/h5-12,19H,4H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82782567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).