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

C15H14BrClFNO — CID 104862282

IUPAC(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c1-9(19)10-3-5-15(14(18)6-10)20-8-11-2-4-12(16)7-13(11)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyNQGQFEPKJRVASK-VIFPVBQESA-N
MW358.64 g/mol
LogP4.84
Rot. Bonds4

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

(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine (PubChem CID 104862282) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
PubChem CID104862282
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(Br)cc2Cl)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c1-9(19)10-3-5-15(14(18)6-10)20-8-11-2-4-12(16)7-13(11)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyNQGQFEPKJRVASK-VIFPVBQESA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
(1R)-1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 78944107
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 103046479
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine (CID 104862282) is (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine is C[C@H](N)c1ccc(OCc2ccc(Br)cc2Cl)c(F)c1.
What is the InChIKey of (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine?
The InChIKey is NQGQFEPKJRVASK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9(19)10-3-5-15(14(18)6-10)20-8-11-2-4-12(16)7-13(11)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine?
(1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(4-bromo-2-chlorophenyl)methoxy]-3-fluorophenyl]ethanamine is sourced from PubChem (CID 104862282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).