1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

C16H17ClFNO — CID 104791683

IUPAC1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H17ClFNO/c1-11(12-6-8-14(17)9-7-12)19-10-13-4-3-5-15(20-2)16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeySLJRELWYYKRSIQ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.34
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (PubChem CID 104791683) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
PubChem CID104791683
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2ccc(Cl)cc2)c1F
InChIInChI=1S/C16H17ClFNO/c1-11(12-6-8-14(17)9-7-12)19-10-13-4-3-5-15(20-2)16(13)18/h3-9,11,19H,10H2,1-2H3
InChIKeySLJRELWYYKRSIQ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791622
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30621148
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
4-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]butan-2-amine
CID 104794935
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine (CID 104791683) is 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNC(C)c2ccc(Cl)cc2)c1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
The InChIKey is SLJRELWYYKRSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(12-6-8-14(17)9-7-12)19-10-13-4-3-5-15(20-2)16(13)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 104791683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).