2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine

C14H23N — CID 82077217

IUPAC2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C14H23N/c1-5-11(2)12-6-8-13(9-7-12)14(3,4)10-15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyZVBLSYJZDGFLJJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine

2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine (PubChem CID 82077217) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
PubChem CID82077217
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
SMILESCCC(C)c1ccc(C(C)(C)CN)cc1
InChIInChI=1S/C14H23N/c1-5-11(2)12-6-8-13(9-7-12)14(3,4)10-15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyZVBLSYJZDGFLJJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
CID 123774225
CID 123774225
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
N-[2-(4-butan-2-ylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166817
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
CID 82126382
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
1-butan-2-yl-4-(1-chloro-2,2-dimethylbutyl)benzene
CID 63429913
1-butan-2-yl-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzene
CID 20771639
2-(4-butan-2-ylphenyl)-2,2-difluoroacetonitrile
CID 116840569

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine (CID 82077217) is 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine is CCC(C)c1ccc(C(C)(C)CN)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
The InChIKey is ZVBLSYJZDGFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-11(2)12-6-8-13(9-7-12)14(3,4)10-15/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine?
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82077217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).