1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine

C16H26FN — CID 115832230

IUPAC1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc(C)c1F
InChIInChI=1S/C16H26FN/c1-4-5-6-7-8-12-15(18-3)14-11-9-10-13(2)16(14)17/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyVBOFYDYKWSJBON-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.76
Rot. Bonds8

About 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine

1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine (PubChem CID 115832230) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
PubChem CID115832230
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1cccc(C)c1F
InChIInChI=1S/C16H26FN/c1-4-5-6-7-8-12-15(18-3)14-11-9-10-13(2)16(14)17/h9-11,15,18H,4-8,12H2,1-3H3
InChIKeyVBOFYDYKWSJBON-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.76
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-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-fluoro-3-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834345
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
CID 79405236
1-(2-fluoro-3-methylphenyl)undecan-1-ol
CID 115789168
1-(2-bromo-3-fluorophenyl)-N-methylheptan-1-amine
CID 115833205
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
CID 81279034
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine (CID 115832230) is 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine?
The InChIKey is VBOFYDYKWSJBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-5-6-7-8-12-15(18-3)14-11-9-10-13(2)16(14)17/h9-11,15,18H,4-8,12H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine?
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine is sourced from PubChem (CID 115832230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).