1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine

C15H24FN — CID 63413897

IUPAC1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)13-9-10-14(16)12(2)11-13/h9-11,15,17H,4-8H2,1-3H3
InChIKeyGZZHOATXSIHWOC-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine

1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine (PubChem CID 63413897) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
PubChem CID63413897
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)13-9-10-14(16)12(2)11-13/h9-11,15,17H,4-8H2,1-3H3
InChIKeyGZZHOATXSIHWOC-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.37
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-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(4-fluoro-3-methylphenyl)undecylhydrazine
CID 105204213
1-(4-fluoro-3-methylphenyl)hexylhydrazine
CID 105204173
1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571
1-(3-bromo-4-fluorophenyl)-N-methylnonan-1-amine
CID 79746685
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
1-(4-fluoro-3-methylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 63192134
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine (CID 63413897) is 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is GZZHOATXSIHWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)13-9-10-14(16)12(2)11-13/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine?
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 63413897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).