3-(4-amino-3,5-dimethylphenyl)propan-1-ol

C11H17NO — CID 22472438

IUPAC3-(4-amino-3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(CCCO)cc(C)c1N
InChIInChI=1S/C11H17NO/c1-8-6-10(4-3-5-13)7-9(2)11(8)12/h6-7,13H,3-5,12H2,1-2H3
InChIKeyZOLHJKXYRQTXFY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.81
Rot. Bonds3

About 3-(4-amino-3,5-dimethylphenyl)propan-1-ol

3-(4-amino-3,5-dimethylphenyl)propan-1-ol (PubChem CID 22472438) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(4-amino-3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-3,5-dimethylphenyl)propan-1-ol
PubChem CID22472438
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(4-amino-3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(CCCO)cc(C)c1N
InChIInChI=1S/C11H17NO/c1-8-6-10(4-3-5-13)7-9(2)11(8)12/h6-7,13H,3-5,12H2,1-2H3
InChIKeyZOLHJKXYRQTXFY-UHFFFAOYSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(4-amino-3,5-dimethylphenyl)propan-1-ol (CID 22472438) is 3-(4-amino-3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-amino-3,5-dimethylphenyl)propan-1-ol is Cc1cc(CCCO)cc(C)c1N.
What is the InChIKey of 3-(4-amino-3,5-dimethylphenyl)propan-1-ol?
The InChIKey is ZOLHJKXYRQTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-6-10(4-3-5-13)7-9(2)11(8)12/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of 3-(4-amino-3,5-dimethylphenyl)propan-1-ol?
3-(4-amino-3,5-dimethylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 22472438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).