(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine

C12H18FNO — CID 171230231

IUPAC(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1c(F)cccc1OC
InChIInChI=1S/C12H18FNO/c1-3-4-7-10(14)12-9(13)6-5-8-11(12)15-2/h5-6,8,10H,3-4,7,14H2,1-2H3/t10-/m0/s1
InChIKeyDKGSDJPADMBFJU-JTQLQIEISA-N
MW211.28 g/mol
LogP3.02
Rot. Bonds5

About (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine

(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine (PubChem CID 171230231) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
PubChem CID171230231
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
SMILESCCCC[C@H](N)c1c(F)cccc1OC
InChIInChI=1S/C12H18FNO/c1-3-4-7-10(14)12-9(13)6-5-8-11(12)15-2/h5-6,8,10H,3-4,7,14H2,1-2H3/t10-/m0/s1
InChIKeyDKGSDJPADMBFJU-JTQLQIEISA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
1-(2-fluoro-6-methoxyphenyl)hex-4-yn-1-amine
CID 104806950
1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
CID 114475528
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine?
The IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine (CID 171230231) is (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine?
The canonical SMILES for (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine is CCCC[C@H](N)c1c(F)cccc1OC.
What is the InChIKey of (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine?
The InChIKey is DKGSDJPADMBFJU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-4-7-10(14)12-9(13)6-5-8-11(12)15-2/h5-6,8,10H,3-4,7,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine?
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 171230231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).