N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine

C15H24FN — CID 106878041

IUPACN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
SMILESCCCCC(NCC)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H24FN/c1-5-7-8-14(17-6-2)15-11(3)9-13(16)10-12(15)4/h9-10,14,17H,5-8H2,1-4H3
InChIKeyJNUBOVHTHKQMJT-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine

N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine (PubChem CID 106878041) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
PubChem CID106878041
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
SMILESCCCCC(NCC)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H24FN/c1-5-7-8-14(17-6-2)15-11(3)9-13(16)10-12(15)4/h9-10,14,17H,5-8H2,1-4H3
InChIKeyJNUBOVHTHKQMJT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(2,6-difluorophenyl)-N-ethylpentan-1-amine
CID 79405772
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
2-cyclohexyl-N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106878239
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
N-ethyl-1-(2,4,6-trifluorophenyl)hex-5-en-1-amine
CID 104986781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine (CID 106878041) is N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine is CCCCC(NCC)c1c(C)cc(F)cc1C.
What is the InChIKey of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine?
The InChIKey is JNUBOVHTHKQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-7-8-14(17-6-2)15-11(3)9-13(16)10-12(15)4/h9-10,14,17H,5-8H2,1-4H3.
What are the key properties of N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine?
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine is sourced from PubChem (CID 106878041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).