1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine

C15H24FN — CID 81279034

IUPAC1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)14-10-9-13(16)11-12(14)2/h9-11,15,17H,4-8H2,1-3H3
InChIKeyCVWGEBGJAOMIDC-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.37
Rot. Bonds7

About 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine

1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine (PubChem CID 81279034) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
PubChem CID81279034
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)14-10-9-13(16)11-12(14)2/h9-11,15,17H,4-8H2,1-3H3
InChIKeyCVWGEBGJAOMIDC-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-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(4-bromo-2-methylphenyl)-N-methyldecan-1-amine
CID 115831324
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine (CID 81279034) is 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is CVWGEBGJAOMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-5-6-7-8-15(17-3)14-10-9-13(16)11-12(14)2/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methylheptan-1-amine?
1-(4-fluoro-2-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-2-methylphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 81279034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).