3-(2,6-dimethylanilino)propan-1-ol

C11H17NO — CID 14304867

IUPAC3-(2,6-dimethylanilino)propan-1-ol
SMILESCc1cccc(C)c1NCCCO
InChIInChI=1S/C11H17NO/c1-9-5-3-6-10(2)11(9)12-7-4-8-13/h3,5-6,12-13H,4,7-8H2,1-2H3
InChIKeyWIICBUNJNGILGO-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.10
Rot. Bonds4

About 3-(2,6-dimethylanilino)propan-1-ol

3-(2,6-dimethylanilino)propan-1-ol (PubChem CID 14304867) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2,6-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(2,6-dimethylanilino)propan-1-ol
PubChem CID14304867
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2,6-dimethylanilino)propan-1-ol
SMILESCc1cccc(C)c1NCCCO
InChIInChI=1S/C11H17NO/c1-9-5-3-6-10(2)11(9)12-7-4-8-13/h3,5-6,12-13H,4,7-8H2,1-2H3
InChIKeyWIICBUNJNGILGO-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylanilino)propan-1-ol?
The IUPAC name of 3-(2,6-dimethylanilino)propan-1-ol (CID 14304867) is 3-(2,6-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-(2,6-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-(2,6-dimethylanilino)propan-1-ol is Cc1cccc(C)c1NCCCO.
What is the InChIKey of 3-(2,6-dimethylanilino)propan-1-ol?
The InChIKey is WIICBUNJNGILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-3-6-10(2)11(9)12-7-4-8-13/h3,5-6,12-13H,4,7-8H2,1-2H3.
What are the key properties of 3-(2,6-dimethylanilino)propan-1-ol?
3-(2,6-dimethylanilino)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylanilino)propan-1-ol is sourced from PubChem (CID 14304867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).