1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine

C19H32FN — CID 65448790

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C19H32FN/c1-5-6-7-8-9-10-11-12-18(21-4)17-13-15(2)19(20)16(3)14-17/h13-14,18,21H,5-12H2,1-4H3
InChIKeyPKOIKVXBRVTFDW-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.84
Rot. Bonds10

About 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine

1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine (PubChem CID 65448790) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
PubChem CID65448790
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C19H32FN/c1-5-6-7-8-9-10-11-12-18(21-4)17-13-15(2)19(20)16(3)14-17/h13-14,18,21H,5-12H2,1-4H3
InChIKeyPKOIKVXBRVTFDW-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.84
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-methyldecan-1-amine
CID 63413701
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
5-(1-chlorononyl)-2-fluoro-1,3-dimethylbenzene
CID 65427553
5-(1-bromodecyl)-2-fluoro-1,3-dimethylbenzene
CID 65427554
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine (CID 65448790) is 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine?
The InChIKey is PKOIKVXBRVTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-5-6-7-8-9-10-11-12-18(21-4)17-13-15(2)19(20)16(3)14-17/h13-14,18,21H,5-12H2,1-4H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine?
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 65448790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).