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

C14H23N — CID 82126382

IUPAC1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCCC(C)c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C14H23N/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyVYJRJXUPLFEDCX-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.48
Rot. Bonds4

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

1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine (PubChem CID 82126382) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
PubChem CID82126382
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine
SMILESCCC(C)c1ccc(CC(C)(C)N)cc1
InChIInChI=1S/C14H23N/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11H,5,10,15H2,1-4H3
InChIKeyVYJRJXUPLFEDCX-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-butan-2-yl-4-[3-(2-fluorophenyl)-2,2-dimethylpropyl]benzene
CID 129212648
1-(4-butan-2-ylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950190
2-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 82077217
CID 123774225
CID 123774225
1-(4-butan-2-ylphenyl)-3,3-dimethylbutan-1-amine
CID 43103849
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303
N-(2-amino-2-methylpropyl)-4-butan-2-ylbenzenesulfonamide;hydrochloride
CID 119987953
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine (CID 82126382) is 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine is CCC(C)c1ccc(CC(C)(C)N)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is VYJRJXUPLFEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-11(2)13-8-6-12(7-9-13)10-14(3,4)15/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine?
1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 82126382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).