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

C18H30FN — CID 63413701

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-11-18(20-3)16-13-12-15(2)17(19)14-16/h12-14,18,20H,4-11H2,1-3H3
InChIKeyMBXRGLDGRBVZFC-UHFFFAOYSA-N
MW279.44 g/mol
LogP5.54
Rot. Bonds10

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

1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine (PubChem CID 63413701) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
PubChem CID63413701
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-11-18(20-3)16-13-12-15(2)17(19)14-16/h12-14,18,20H,4-11H2,1-3H3
InChIKeyMBXRGLDGRBVZFC-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.54
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-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
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-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine (CID 63413701) is 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine?
The InChIKey is MBXRGLDGRBVZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FN/c1-4-5-6-7-8-9-10-11-18(20-3)16-13-12-15(2)17(19)14-16/h12-14,18,20H,4-11H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine?
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine has a molecular weight of 279.44 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 63413701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).