2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine

C15H25N — CID 65308891

IUPAC2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-13(2)16-12-15(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyZYBTZDODEYQKHD-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.64
Rot. Bonds6

About 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine

2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine (PubChem CID 65308891) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
PubChem CID65308891
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H25N/c1-13(2)16-12-15(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyZYBTZDODEYQKHD-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306223
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
2,2-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 65308686
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
CID 174996327
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306701

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine (CID 65308891) is 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)(C)CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine?
The InChIKey is ZYBTZDODEYQKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-13(2)16-12-15(3,4)11-10-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine?
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65308891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).