1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine

C16H18ClN — CID 113319516

IUPAC1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
SMILESCc1cc(Cl)c(-c2cccc(C(C)N)c2)cc1C
InChIInChI=1S/C16H18ClN/c1-10-7-15(16(17)8-11(10)2)14-6-4-5-13(9-14)12(3)18/h4-9,12H,18H2,1-3H3
InChIKeyUHNJXNPHZKBTSY-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.64
Rot. Bonds2

About 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine

1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine (PubChem CID 113319516) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
PubChem CID113319516
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
SMILESCc1cc(Cl)c(-c2cccc(C(C)N)c2)cc1C
InChIInChI=1S/C16H18ClN/c1-10-7-15(16(17)8-11(10)2)14-6-4-5-13(9-14)12(3)18/h4-9,12H,18H2,1-3H3
InChIKeyUHNJXNPHZKBTSY-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
CID 82541933
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
2-chloro-4-(2-chloro-4,5-dimethylphenyl)aniline
CID 107607819
1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
CID 70213286
1-[3-(2,4,6-trimethoxyphenyl)phenyl]ethanamine
CID 61032618
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine (CID 113319516) is 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine is Cc1cc(Cl)c(-c2cccc(C(C)N)c2)cc1C.
What is the InChIKey of 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine?
The InChIKey is UHNJXNPHZKBTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-10-7-15(16(17)8-11(10)2)14-6-4-5-13(9-14)12(3)18/h4-9,12H,18H2,1-3H3.
What are the key properties of 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine?
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 113319516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).