N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine

C15H24FN — CID 79442362

IUPACN-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCNCC(CC(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-4-12(3)10-14(11-17-5-2)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyLCOFGNWRFVOBEH-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds7

About N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine

N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine (PubChem CID 79442362) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
PubChem CID79442362
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCNCC(CC(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-4-12(3)10-14(11-17-5-2)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyLCOFGNWRFVOBEH-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
2-(4-bromophenyl)-N-ethyl-4-methylheptan-1-amine
CID 79441623
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-5-methylsulfanylpentan-1-amine
CID 113474259
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 81348514
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine (CID 79442362) is N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine is CCNCC(CC(C)CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The InChIKey is LCOFGNWRFVOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-12(3)10-14(11-17-5-2)13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine is sourced from PubChem (CID 79442362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).