N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

C16H17ClFN — CID 115811950

IUPACN-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(C)c1F
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-7-5-8-13(17)10-12)14-9-4-6-11(2)15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyUBJZNZJHVSLREV-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.49
Rot. Bonds4

About N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 115811950) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID115811950
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1cccc(C)c1F
InChIInChI=1S/C16H17ClFN/c1-3-19-16(12-7-5-8-13(17)10-12)14-9-4-6-11(2)15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyUBJZNZJHVSLREV-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(2-bromo-3-methylphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 107984777
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(3-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 63412201
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(3-chloro-4-methylphenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 107560858
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (CID 115811950) is N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)c1cccc(C)c1F.
What is the InChIKey of N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is UBJZNZJHVSLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-19-16(12-7-5-8-13(17)10-12)14-9-4-6-11(2)15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115811950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).