2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride

C12H20ClN — CID 122163896

IUPAC2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
SMILESCC(C)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-9(2)10-5-7-11(8-6-10)12(3,4)13;/h5-9H,13H2,1-4H3;1H
InChIKeyUKCVBFQQUAVVFU-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.43
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride

2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride (PubChem CID 122163896) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
PubChem CID122163896
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride
SMILESCC(C)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-9(2)10-5-7-11(8-6-10)12(3,4)13;/h5-9H,13H2,1-4H3;1H
InChIKeyUKCVBFQQUAVVFU-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(difluoromethyl)phenyl]propan-2-amine
CID 117280197
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
2-(3-chloro-5-propan-2-ylphenyl)propan-2-amine
CID 84782173
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
2-(4-fluorophenyl)propan-2-amine
CID 13025665

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride (CID 122163896) is 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride is CC(C)c1ccc(C(C)(C)N)cc1.Cl.
What is the InChIKey of 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The InChIKey is UKCVBFQQUAVVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-9(2)10-5-7-11(8-6-10)12(3,4)13;/h5-9H,13H2,1-4H3;1H.
What are the key properties of 2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride?
2-(4-propan-2-ylphenyl)propan-2-amine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.43, 2 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)propan-2-amine;hydrochloride is sourced from PubChem (CID 122163896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).