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

C15H14ClF2N — CID 81377742

IUPAC(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc(F)c1F)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2N/c1-10(12-6-2-3-7-13(12)16)19-9-11-5-4-8-14(17)15(11)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyNNFRCPNSPBJROA-JTQLQIEISA-N
MW281.73 g/mol
LogP4.47
Rot. Bonds4

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

(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine (PubChem CID 81377742) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
PubChem CID81377742
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cccc(F)c1F)c1ccccc1Cl
InChIInChI=1S/C15H14ClF2N/c1-10(12-6-2-3-7-13(12)16)19-9-11-5-4-8-14(17)15(11)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyNNFRCPNSPBJROA-JTQLQIEISA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81396656
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349336
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
(1R)-1-(2-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 104930257
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine (CID 81377742) is (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine is C[C@H](NCc1cccc(F)c1F)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
The InChIKey is NNFRCPNSPBJROA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-10(12-6-2-3-7-13(12)16)19-9-11-5-4-8-14(17)15(11)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine?
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81377742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).