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

C15H15ClFNO — CID 103037860

IUPAC(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyBSJDKGVRBSRVQA-JTQLQIEISA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

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

(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 103037860) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID103037860
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@H](N)c1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1
InChIKeyBSJDKGVRBSRVQA-JTQLQIEISA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine (CID 103037860) is (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine is C[C@H](N)c1cccc(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is BSJDKGVRBSRVQA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10H,9,18H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine?
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103037860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).