1-(3-fluoro-4-methoxyphenyl)hexan-1-amine

C13H20FNO — CID 43474211

IUPAC1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-12(15)10-7-8-13(16-2)11(14)9-10/h7-9,12H,3-6,15H2,1-2H3
InChIKeyLTFKBYVOSLUQOI-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.41
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine

1-(3-fluoro-4-methoxyphenyl)hexan-1-amine (PubChem CID 43474211) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
PubChem CID43474211
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
SMILESCCCCCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-12(15)10-7-8-13(16-2)11(14)9-10/h7-9,12H,3-6,15H2,1-2H3
InChIKeyLTFKBYVOSLUQOI-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
CID 107524072
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine (CID 43474211) is 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine is CCCCCC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine?
The InChIKey is LTFKBYVOSLUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-5-6-12(15)10-7-8-13(16-2)11(14)9-10/h7-9,12H,3-6,15H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine?
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)hexan-1-amine is sourced from PubChem (CID 43474211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).