N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine

C16H17F2N — CID 62388086

IUPACN-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1cc(F)ccc1C
InChIInChI=1S/C16H17F2N/c1-3-19-16(12-5-8-13(17)9-6-12)15-10-14(18)7-4-11(15)2/h4-10,16,19H,3H2,1-2H3
InChIKeyJVRFTGXVLNTDRM-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.97
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine

N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 62388086) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID62388086
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC NameN-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1cc(F)ccc1C
InChIInChI=1S/C16H17F2N/c1-3-19-16(12-5-8-13(17)9-6-12)15-10-14(18)7-4-11(15)2/h4-10,16,19H,3H2,1-2H3
InChIKeyJVRFTGXVLNTDRM-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115851922
N-[(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63414114
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852524
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(5-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 65307696
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine (CID 62388086) is N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is JVRFTGXVLNTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-19-16(12-5-8-13(17)9-6-12)15-10-14(18)7-4-11(15)2/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 261.32 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 62388086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).