(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine

C13H20FNO — CID 171229236

IUPAC(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1cc(OC)ccc1F
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-13(15)11-9-10(16-2)7-8-12(11)14/h7-9,13H,3-6,15H2,1-2H3/t13-/m0/s1
InChIKeyXZFUUYAMVJQNEF-ZDUSSCGKSA-N
MW225.31 g/mol
LogP3.41
Rot. Bonds6

About (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine

(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine (PubChem CID 171229236) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
PubChem CID171229236
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
SMILESCCCCC[C@H](N)c1cc(OC)ccc1F
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-13(15)11-9-10(16-2)7-8-12(11)14/h7-9,13H,3-6,15H2,1-2H3/t13-/m0/s1
InChIKeyXZFUUYAMVJQNEF-ZDUSSCGKSA-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

(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine?
The IUPAC name of (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine (CID 171229236) is (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine?
The canonical SMILES for (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine is CCCCC[C@H](N)c1cc(OC)ccc1F.
What is the InChIKey of (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine?
The InChIKey is XZFUUYAMVJQNEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-5-6-13(15)11-9-10(16-2)7-8-12(11)14/h7-9,13H,3-6,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine?
(1S)-1-(2-fluoro-5-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 (1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine is sourced from PubChem (CID 171229236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).