3-amino-1-(2-propan-2-ylphenyl)propan-1-ol

C12H19NO — CID 82605381

IUPAC3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1C(O)CCN
InChIInChI=1S/C12H19NO/c1-9(2)10-5-3-4-6-11(10)12(14)7-8-13/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyRVJDMSGTGNLZOQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol

3-amino-1-(2-propan-2-ylphenyl)propan-1-ol (PubChem CID 82605381) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
PubChem CID82605381
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-amino-1-(2-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1ccccc1C(O)CCN
InChIInChI=1S/C12H19NO/c1-9(2)10-5-3-4-6-11(10)12(14)7-8-13/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyRVJDMSGTGNLZOQ-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-1-(2-cyclopropylphenyl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol (CID 82605381) is 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol is CC(C)c1ccccc1C(O)CCN.
What is the InChIKey of 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol?
The InChIKey is RVJDMSGTGNLZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)10-5-3-4-6-11(10)12(14)7-8-13/h3-6,9,12,14H,7-8,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol?
3-amino-1-(2-propan-2-ylphenyl)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 82605381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).