N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine

C15H24FN — CID 62602319

IUPACN-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
SMILESCCNC(Cc1cccc(F)c1)CC(C)CC
InChIInChI=1S/C15H24FN/c1-4-12(3)9-15(17-5-2)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyDIVUWKWLFLDWFN-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine

N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine (PubChem CID 62602319) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
PubChem CID62602319
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
SMILESCCNC(Cc1cccc(F)c1)CC(C)CC
InChIInChI=1S/C15H24FN/c1-4-12(3)9-15(17-5-2)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3
InChIKeyDIVUWKWLFLDWFN-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine (CID 62602319) is N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine is CCNC(Cc1cccc(F)c1)CC(C)CC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine?
The InChIKey is DIVUWKWLFLDWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-12(3)9-15(17-5-2)11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine?
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine is sourced from PubChem (CID 62602319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).