2-(2-propan-2-ylphenyl)propan-1-amine

C12H19N — CID 82599641

IUPAC2-(2-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccccc1C(C)CN
InChIInChI=1S/C12H19N/c1-9(2)11-6-4-5-7-12(11)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyMHRSHQVNQTYHLG-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-propan-2-ylphenyl)propan-1-amine

2-(2-propan-2-ylphenyl)propan-1-amine (PubChem CID 82599641) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)propan-1-amine
PubChem CID82599641
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(2-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)c1ccccc1C(C)CN
InChIInChI=1S/C12H19N/c1-9(2)11-6-4-5-7-12(11)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3
InChIKeyMHRSHQVNQTYHLG-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3028046
2-[2-(1-methoxyethyl)phenyl]propan-1-amine
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1-butan-2-yl-2-propan-2-ylbenzene;ethane
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1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
CID 82605381
(2-propan-2-ylphenyl)methanamine
CID 15040708
N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 20546207
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
2-[2-(2,2-difluoroethylsulfanyl)phenyl]propan-1-amine
CID 84794692
2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-(2-propan-2-ylphenyl)propan-1-amine (CID 82599641) is 2-(2-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-propan-2-ylphenyl)propan-1-amine is CC(C)c1ccccc1C(C)CN.
What is the InChIKey of 2-(2-propan-2-ylphenyl)propan-1-amine?
The InChIKey is MHRSHQVNQTYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)11-6-4-5-7-12(11)10(3)8-13/h4-7,9-10H,8,13H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylphenyl)propan-1-amine?
2-(2-propan-2-ylphenyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 82599641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).