(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine

C15H14ClF2NO — CID 78933101

IUPAC(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyAHAIUBSQLKPYNH-SECBINFHSA-N
MW297.73 g/mol
LogP4.22
Rot. Bonds4

About (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 78933101) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID78933101
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1cc(Cl)ccc1OCc1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyAHAIUBSQLKPYNH-SECBINFHSA-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

(1R)-1-[2-[(2,5-difluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63367183
2-[[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902706
1-[5-bromo-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine
CID 62369042
1-[5-chloro-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 65318702
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
(1S)-1-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 63366646
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethanamine
CID 106861888
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine (CID 78933101) is (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1cc(Cl)ccc1OCc1cc(F)ccc1F.
What is the InChIKey of (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is AHAIUBSQLKPYNH-SECBINFHSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9(19)13-7-11(16)2-5-15(13)20-8-10-6-12(17)3-4-14(10)18/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]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 (1R)-1-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).