N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine

C17H28FN — CID 79437531

IUPACN-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCC(C)CC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-6-13(2)11-15(12-19-17(3,4)5)14-7-9-16(18)10-8-14/h7-10,13,15,19H,6,11-12H2,1-5H3
InChIKeyWKNHWUFNMJOKTR-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.73
Rot. Bonds6

About N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine

N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine (PubChem CID 79437531) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
PubChem CID79437531
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
SMILESCCC(C)CC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-6-13(2)11-15(12-19-17(3,4)5)14-7-9-16(18)10-8-14/h7-10,13,15,19H,6,11-12H2,1-5H3
InChIKeyWKNHWUFNMJOKTR-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
CID 79438111
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 81348514
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-tert-butyl-2-fluoro-4-methylhexan-1-amine
CID 107446596
N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79431603
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
N-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine (CID 79437531) is N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine is CCC(C)CC(CNC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
The InChIKey is WKNHWUFNMJOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-6-13(2)11-15(12-19-17(3,4)5)14-7-9-16(18)10-8-14/h7-10,13,15,19H,6,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine?
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine is sourced from PubChem (CID 79437531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).