N-tert-butyl-4-methyl-2-phenylpentan-1-amine

C16H27N — CID 65429499

IUPACN-tert-butyl-4-methyl-2-phenylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-13(2)11-15(12-17-16(3,4)5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyPEQCTOWLINMAGY-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.20
Rot. Bonds5

About N-tert-butyl-4-methyl-2-phenylpentan-1-amine

N-tert-butyl-4-methyl-2-phenylpentan-1-amine (PubChem CID 65429499) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-phenylpentan-1-amine
PubChem CID65429499
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-tert-butyl-4-methyl-2-phenylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27N/c1-13(2)11-15(12-17-16(3,4)5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyPEQCTOWLINMAGY-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.20
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-tert-butyl-4,4-dimethyl-2-phenylpentan-1-amine
CID 81023928
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N-tert-butyl-5-methylsulfanyl-2-phenylpentan-1-amine
CID 113474239
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365
N-tert-butyl-2-phenyloct-7-en-1-amine
CID 81024608
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
[(1R,2S)-3-(tert-butylamino)-2-methyl-1-phenylpropyl]-methanidylazanium
CID 87106541

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-phenylpentan-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-2-phenylpentan-1-amine (CID 65429499) is N-tert-butyl-4-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-phenylpentan-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-2-phenylpentan-1-amine is CC(C)CC(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-4-methyl-2-phenylpentan-1-amine?
The InChIKey is PEQCTOWLINMAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)11-15(12-17-16(3,4)5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-2-phenylpentan-1-amine?
N-tert-butyl-4-methyl-2-phenylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 65429499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).