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

C15H24FN — CID 79298629

IUPACN-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
SMILESCCNC(C(C)C)C(CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-14(15(11(3)4)17-6-2)12-7-9-13(16)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyTTXJKIBCSOHGPG-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds6

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

N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine (PubChem CID 79298629) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
PubChem CID79298629
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine
SMILESCCNC(C(C)C)C(CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-14(15(11(3)4)17-6-2)12-7-9-13(16)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyTTXJKIBCSOHGPG-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
3-(4-fluorophenyl)pentan-2-amine
CID 66437850
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
1-(3,4-difluorophenyl)-2-(ethylamino)-3-methylbutan-1-ol
CID 82316344
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
3-(4-fluorophenyl)heptan-4-amine
CID 83047471

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine (CID 79298629) is N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine is CCNC(C(C)C)C(CC)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine?
The InChIKey is TTXJKIBCSOHGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-14(15(11(3)4)17-6-2)12-7-9-13(16)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine?
N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 79298629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).