(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine

C16H17BrFNO2 — CID 107718303

IUPAC(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESCOc1ccc(Br)c(COc2ccc([C@@H](C)N)c(F)c2)c1
InChIInChI=1S/C16H17BrFNO2/c1-10(19)14-5-3-13(8-16(14)18)21-9-11-7-12(20-2)4-6-15(11)17/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1
InChIKeyHCJWAPGFQVTSTK-SNVBAGLBSA-N
MW354.22 g/mol
LogP4.20
Rot. Bonds5

About (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine

(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107718303) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107718303
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESCOc1ccc(Br)c(COc2ccc([C@@H](C)N)c(F)c2)c1
InChIInChI=1S/C16H17BrFNO2/c1-10(19)14-5-3-13(8-16(14)18)21-9-11-7-12(20-2)4-6-15(11)17/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1
InChIKeyHCJWAPGFQVTSTK-SNVBAGLBSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-4-fluorophenyl]ethanamine
CID 79005238
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
(1R)-1-[5-bromo-2-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanamine
CID 65322330
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
1-bromo-2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102876842
1-[2-bromo-5-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876103
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine (CID 107718303) is (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine is COc1ccc(Br)c(COc2ccc([C@@H](C)N)c(F)c2)c1.
What is the InChIKey of (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is HCJWAPGFQVTSTK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10(19)14-5-3-13(8-16(14)18)21-9-11-7-12(20-2)4-6-15(11)17/h3-8,10H,9,19H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine?
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 354.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107718303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).