(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C9H12FNO — CID 7047663

IUPAC(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyWGUPBBABCUKYCC-ZCFIWIBFSA-N
MW169.20 g/mol
LogP1.85
Rot. Bonds2

About (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine

(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 7047663) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID7047663
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1
InChIKeyWGUPBBABCUKYCC-ZCFIWIBFSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 7047663) is (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)N)cc1F.
What is the InChIKey of (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is WGUPBBABCUKYCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12FNO/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 169.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 7047663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).