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

C16H26FN — CID 79438111

IUPACN-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-12(2)10-14(11-18-16(3,4)5)13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3
InChIKeyZFMKNUIGQJSVOG-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.34
Rot. Bonds5

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

N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine (PubChem CID 79438111) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
PubChem CID79438111
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-12(2)10-14(11-18-16(3,4)5)13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3
InChIKeyZFMKNUIGQJSVOG-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.34
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
N-tert-butyl-4-methyl-2-phenylpentan-1-amine
CID 65429499
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
N-tert-butyl-2-(4-fluorophenyl)-4-thiophen-3-ylbutan-1-amine
CID 79431603
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-tert-butyl-2-[(2,5-difluorophenyl)methyl]-4-methylpentan-1-amine
CID 63497814
2-(4-bromophenyl)-N-tert-butyl-6-methylheptan-1-amine
CID 83168805
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine (CID 79438111) is N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine is CC(C)CC(CNC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine?
The InChIKey is ZFMKNUIGQJSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-12(2)10-14(11-18-16(3,4)5)13-6-8-15(17)9-7-13/h6-9,12,14,18H,10-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine?
N-tert-butyl-2-(4-fluorophenyl)-4-methylpentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.34, 5 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-methylpentan-1-amine is sourced from PubChem (CID 79438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).