2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine

C15H16ClN — CID 115045738

IUPAC2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(-c2cc(CCN)ccc2Cl)cc1
InChIInChI=1S/C15H16ClN/c1-11-2-5-13(6-3-11)14-10-12(8-9-17)4-7-15(14)16/h2-7,10H,8-9,17H2,1H3
InChIKeyAAUKXWPTXBGIQM-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.82
Rot. Bonds3

About 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine

2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine (PubChem CID 115045738) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
PubChem CID115045738
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
SMILESCc1ccc(-c2cc(CCN)ccc2Cl)cc1
InChIInChI=1S/C15H16ClN/c1-11-2-5-13(6-3-11)14-10-12(8-9-17)4-7-15(14)16/h2-7,10H,8-9,17H2,1H3
InChIKeyAAUKXWPTXBGIQM-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-[3-(4-bromophenyl)-4-methylphenyl]ethanamine
CID 115052687
[3-(4-tert-butylphenyl)-4-chlorophenyl]methanamine
CID 39233059
2-[5-(2-aminoethyl)-2-chlorophenyl]phenol
CID 115046200
[4-chloro-3-(4-fluorophenyl)phenyl]methanamine
CID 39231998
2-[4-(3-chloro-4-methylphenyl)phenyl]ethanamine
CID 110282226
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[4-chloro-3-(4-methoxyphenyl)phenyl]ethanol
CID 170838643

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine (CID 115045738) is 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine is Cc1ccc(-c2cc(CCN)ccc2Cl)cc1.
What is the InChIKey of 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine?
The InChIKey is AAUKXWPTXBGIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11-2-5-13(6-3-11)14-10-12(8-9-17)4-7-15(14)16/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine?
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine has a molecular weight of 245.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 115045738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).