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

C17H28FNO — CID 115831321

IUPAC1-(4-fluoro-3-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3
InChIKeyVZFWSBCXRMRWCB-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.97
Rot. Bonds10

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

1-(4-fluoro-3-methoxyphenyl)decan-1-amine (PubChem CID 115831321) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)decan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)decan-1-amine
PubChem CID115831321
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-(4-fluoro-3-methoxyphenyl)decan-1-amine
SMILESCCCCCCCCCC(N)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3
InChIKeyVZFWSBCXRMRWCB-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.97
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-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
1-(4-fluoro-3-methoxyphenyl)octylhydrazine
CID 105293533
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(3,4-difluorophenyl)hexan-1-amine;hydrochloride
CID 86262840

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)decan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)decan-1-amine (CID 115831321) is 1-(4-fluoro-3-methoxyphenyl)decan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)decan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)decan-1-amine is CCCCCCCCCC(N)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)decan-1-amine?
The InChIKey is VZFWSBCXRMRWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-3-4-5-6-7-8-9-10-16(19)14-11-12-15(18)17(13-14)20-2/h11-13,16H,3-10,19H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)decan-1-amine?
1-(4-fluoro-3-methoxyphenyl)decan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.97, 10 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)decan-1-amine is sourced from PubChem (CID 115831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).