3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine

C15H24FN — CID 82922591

IUPAC3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FN/c1-5-12(6-2)9-15(17-4)13-8-7-11(3)14(16)10-13/h7-8,10,12,15,17H,5-6,9H2,1-4H3
InChIKeyNIHASPLVPLVURV-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.22
Rot. Bonds6

About 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine

3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine (PubChem CID 82922591) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
PubChem CID82922591
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine
SMILESCCC(CC)CC(NC)c1ccc(C)c(F)c1
InChIInChI=1S/C15H24FN/c1-5-12(6-2)9-15(17-4)13-8-7-11(3)14(16)10-13/h7-8,10,12,15,17H,5-6,9H2,1-4H3
InChIKeyNIHASPLVPLVURV-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 60819926
1-(3-fluoro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 62599815
1-(3-bromo-4-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922196
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-methylbutan-1-amine
CID 107129129
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206
1-(3-fluoro-4-methylphenyl)-N-methyl-2-phenylethanamine
CID 60820090
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
1-(3-fluoro-4-methylphenyl)-N,2-dimethylbutan-1-amine
CID 79446498
3-(3-fluoro-4-methylphenyl)-3-(methylamino)propanamide
CID 65236584

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine (CID 82922591) is 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine is CCC(CC)CC(NC)c1ccc(C)c(F)c1.
What is the InChIKey of 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine?
The InChIKey is NIHASPLVPLVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-12(6-2)9-15(17-4)13-8-7-11(3)14(16)10-13/h7-8,10,12,15,17H,5-6,9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine?
3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoro-4-methylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 82922591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).