2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine

C16H17ClFN — CID 105055258

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C16H17ClFN/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyGLJLZDLREVMAEF-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine (PubChem CID 105055258) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
PubChem CID105055258
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C16H17ClFN/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyGLJLZDLREVMAEF-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 114856908
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62797331
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine (CID 105055258) is 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Cl)cc2F)cc1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine?
The InChIKey is GLJLZDLREVMAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-3-4-13(7-11(10)2)16(19)8-12-5-6-14(17)9-15(12)18/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 105055258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).