1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine

C13H20FNO — CID 107894085

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13H,4-5,15H2,1-3H3
InChIKeyPLPLOSXDJDXYRR-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine

1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine (PubChem CID 107894085) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
PubChem CID107894085
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H20FNO/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13H,4-5,15H2,1-3H3
InChIKeyPLPLOSXDJDXYRR-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
CID 171159915
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
1-amino-3-(4-fluoro-3-methoxyphenyl)butan-2-ol
CID 83909820
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine (CID 107894085) is 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is PLPLOSXDJDXYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-5-9(2)13(15)10-6-7-11(14)12(8-10)16-3/h6-9,13H,4-5,15H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine?
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 107894085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).