N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

C16H17F2N — CID 63646240

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2F)cc1F
InChIInChI=1S/C16H17F2N/c1-11-7-8-13(9-16(11)18)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3
InChIKeyHJCZLCQGHRWGPN-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.12
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine

N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 63646240) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID63646240
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2F)cc1F
InChIInChI=1S/C16H17F2N/c1-11-7-8-13(9-16(11)18)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3
InChIKeyHJCZLCQGHRWGPN-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63644521
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 63646240) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is Cc1ccc(CNC(C)c2ccccc2F)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is HJCZLCQGHRWGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-7-8-13(9-16(11)18)10-19-12(2)14-5-3-4-6-15(14)17/h3-9,12,19H,10H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 261.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 63646240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).