1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

C16H17F2N — CID 103878337

IUPAC1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1cccc(F)c1F
InChIInChI=1S/C16H17F2N/c1-11-6-3-4-7-13(11)10-19-12(2)14-8-5-9-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3
InChIKeyKVPSQVYHQGEUJX-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.12
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine

1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 103878337) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID103878337
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCc1ccccc1CNC(C)c1cccc(F)c1F
InChIInChI=1S/C16H17F2N/c1-11-6-3-4-7-13(11)10-19-12(2)14-8-5-9-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3
InChIKeyKVPSQVYHQGEUJX-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 ≤ 500261.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
1-(2,3-difluorophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 113343786
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
(1R)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104979999
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 103912410
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 103878337) is 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is Cc1ccccc1CNC(C)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is KVPSQVYHQGEUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-6-3-4-7-13(11)10-19-12(2)14-8-5-9-15(17)16(14)18/h3-9,12,19H,10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine?
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 261.31 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 1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 103878337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).