2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine

C15H15ClFN — CID 79704483

IUPAC2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClFN/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9,15H,8,18H2,1H3
InChIKeyUYACKGFUBXLRSH-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine

2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine (PubChem CID 79704483) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
PubChem CID79704483
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(F)cc(C(N)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClFN/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9,15H,8,18H2,1H3
InChIKeyUYACKGFUBXLRSH-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 62504437
2-(2,6-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 79704202
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine (CID 79704483) is 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine is Cc1cc(F)cc(C(N)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
The InChIKey is UYACKGFUBXLRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-5-12(9-14(17)6-10)15(18)8-11-3-2-4-13(16)7-11/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine?
2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine has a molecular weight of 263.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 79704483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).