N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine

C16H17ClFN — CID 115504105

IUPACN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C)c(Cl)c2)cc1F
InChIInChI=1S/C16H17ClFN/c1-3-19-10-14-7-6-13(9-16(14)18)12-5-4-11(2)15(17)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeySRCBWKXXEJFQPW-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.56
Rot. Bonds4

About N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine

N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine (PubChem CID 115504105) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
PubChem CID115504105
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC NameN-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2ccc(C)c(Cl)c2)cc1F
InChIInChI=1S/C16H17ClFN/c1-3-19-10-14-7-6-13(9-16(14)18)12-5-4-11(2)15(17)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeySRCBWKXXEJFQPW-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 115504145
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[2-fluoro-4-(2-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 102834443
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425081
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine (CID 115504105) is N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2ccc(C)c(Cl)c2)cc1F.
What is the InChIKey of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine?
The InChIKey is SRCBWKXXEJFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-19-10-14-7-6-13(9-16(14)18)12-5-4-11(2)15(17)8-12/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine?
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 115504105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).