(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine

C15H14ClF2NO — CID 107718903

IUPAC(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)12-6-5-11(7-14(12)17)20-8-10-3-2-4-13(16)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyGOCUUUBPLXRFKS-VIFPVBQESA-N
MW297.73 g/mol
LogP4.22
Rot. Bonds4

About (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine

(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107718903) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107718903
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)12-6-5-11(7-14(12)17)20-8-10-3-2-4-13(16)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyGOCUUUBPLXRFKS-VIFPVBQESA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
1-[2-bromo-5-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102858124
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine (CID 107718903) is (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine is C[C@H](N)c1ccc(OCc2cccc(Cl)c2F)cc1F.
What is the InChIKey of (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is GOCUUUBPLXRFKS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19)12-6-5-11(7-14(12)17)20-8-10-3-2-4-13(16)15(10)18/h2-7,9H,8,19H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).