2-(3-amino-4-methylphenyl)propan-2-ol

C10H15NO — CID 91647740

IUPAC2-(3-amino-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc1N
InChIInChI=1S/C10H15NO/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,12H,11H2,1-3H3
InChIKeyRXJDOCSCABAOBN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds1

About 2-(3-amino-4-methylphenyl)propan-2-ol

2-(3-amino-4-methylphenyl)propan-2-ol (PubChem CID 91647740) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)propan-2-ol
PubChem CID91647740
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(3-amino-4-methylphenyl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)cc1N
InChIInChI=1S/C10H15NO/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,12H,11H2,1-3H3
InChIKeyRXJDOCSCABAOBN-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-Aminophenyl)ethanol
CID 222461
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
3-Aminobenzyl alcohol
CID 80293
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(4-Aminophenyl)propan-2-ol
CID 9543261
2-Amino-alpha-methylbenzenemethanol
CID 112058
(3-Amino-2-methylphenyl)methanol
CID 577175
(3-Amino-4-methylphenyl)methanol
CID 586243
(3-Aminophenyl)(phenyl)methanol
CID 292403
(2-Amino-6-methylphenyl)methanol
CID 15339417
(1R)-1-(3-aminophenyl)ethan-1-ol
CID 643191
4-Amino-2-isopropyl-5-methylphenol
CID 70781

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)propan-2-ol?
The IUPAC name of 2-(3-amino-4-methylphenyl)propan-2-ol (CID 91647740) is 2-(3-amino-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-amino-4-methylphenyl)propan-2-ol is Cc1ccc(C(C)(C)O)cc1N.
What is the InChIKey of 2-(3-amino-4-methylphenyl)propan-2-ol?
The InChIKey is RXJDOCSCABAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4-6,12H,11H2,1-3H3.
What are the key properties of 2-(3-amino-4-methylphenyl)propan-2-ol?
2-(3-amino-4-methylphenyl)propan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 91647740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).