2-[(3-fluorophenyl)methyl]octan-1-amine

C15H24FN — CID 62529193

IUPAC2-[(3-fluorophenyl)methyl]octan-1-amine
SMILESCCCCCCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-2-3-4-5-7-14(12-17)10-13-8-6-9-15(16)11-13/h6,8-9,11,14H,2-5,7,10,12,17H2,1H3
InChIKeyRIDUEEDDKVWOJO-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.91
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl]octan-1-amine

2-[(3-fluorophenyl)methyl]octan-1-amine (PubChem CID 62529193) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]octan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]octan-1-amine
PubChem CID62529193
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-[(3-fluorophenyl)methyl]octan-1-amine
SMILESCCCCCCC(CN)Cc1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-2-3-4-5-7-14(12-17)10-13-8-6-9-15(16)11-13/h6,8-9,11,14H,2-5,7,10,12,17H2,1H3
InChIKeyRIDUEEDDKVWOJO-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)dodecyl]-3-fluorobenzene
CID 66050539
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[[3-(trifluoromethylsulfanyl)phenyl]methyl]heptan-1-amine
CID 70607325
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]octan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]octan-1-amine (CID 62529193) is 2-[(3-fluorophenyl)methyl]octan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]octan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]octan-1-amine is CCCCCCC(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]octan-1-amine?
The InChIKey is RIDUEEDDKVWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-2-3-4-5-7-14(12-17)10-13-8-6-9-15(16)11-13/h6,8-9,11,14H,2-5,7,10,12,17H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]octan-1-amine?
2-[(3-fluorophenyl)methyl]octan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]octan-1-amine is sourced from PubChem (CID 62529193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).