1-(2-fluoro-3-methoxyphenyl)nonan-1-amine

C16H26FNO — CID 105025092

IUPAC1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-7-8-11-14(18)13-10-9-12-15(19-2)16(13)17/h9-10,12,14H,3-8,11,18H2,1-2H3
InChIKeyATWIBTJJBIWBFG-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.58
Rot. Bonds9

About 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine

1-(2-fluoro-3-methoxyphenyl)nonan-1-amine (PubChem CID 105025092) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
PubChem CID105025092
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
SMILESCCCCCCCCC(N)c1cccc(OC)c1F
InChIInChI=1S/C16H26FNO/c1-3-4-5-6-7-8-11-14(18)13-10-9-12-15(19-2)16(13)17/h9-10,12,14H,3-8,11,18H2,1-2H3
InChIKeyATWIBTJJBIWBFG-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.58
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

(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
(1R)-1-(2-fluoro-3-methoxyphenyl)pent-4-en-1-amine;hydrochloride
CID 171205721
1-(2-fluoro-3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148107
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine (CID 105025092) is 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine is CCCCCCCCC(N)c1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine?
The InChIKey is ATWIBTJJBIWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-4-5-6-7-8-11-14(18)13-10-9-12-15(19-2)16(13)17/h9-10,12,14H,3-8,11,18H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine?
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)nonan-1-amine is sourced from PubChem (CID 105025092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).