2-(4-propan-2-ylphenyl)butan-2-amine

C13H21N — CID 62800595

IUPAC2-(4-propan-2-ylphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21N/c1-5-13(4,14)12-8-6-11(7-9-12)10(2)3/h6-10H,5,14H2,1-4H3
InChIKeyNXISIPDWJGBHAE-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.39
Rot. Bonds3

About 2-(4-propan-2-ylphenyl)butan-2-amine

2-(4-propan-2-ylphenyl)butan-2-amine (PubChem CID 62800595) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)butan-2-amine
PubChem CID62800595
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-(4-propan-2-ylphenyl)butan-2-amine
SMILESCCC(C)(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21N/c1-5-13(4,14)12-8-6-11(7-9-12)10(2)3/h6-10H,5,14H2,1-4H3
InChIKeyNXISIPDWJGBHAE-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 122163896
ethyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848294
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
1-(3-methylpentan-3-yl)-4-[1-(4-propan-2-ylphenyl)ethyl]benzene
CID 163649969
methyl 3-amino-3-(4-propan-2-ylphenyl)butanoate
CID 79848368
2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 55026495
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of 2-(4-propan-2-ylphenyl)butan-2-amine (CID 62800595) is 2-(4-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)butan-2-amine is CCC(C)(N)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)butan-2-amine?
The InChIKey is NXISIPDWJGBHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(4,14)12-8-6-11(7-9-12)10(2)3/h6-10H,5,14H2,1-4H3.
What are the key properties of 2-(4-propan-2-ylphenyl)butan-2-amine?
2-(4-propan-2-ylphenyl)butan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 62800595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).