3-(N,4-dimethylanilino)propan-1-ol

C11H17NO — CID 54144464

IUPAC3-(N,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCCO)cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeyODJSVYACYIUICE-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.81
Rot. Bonds4

About 3-(N,4-dimethylanilino)propan-1-ol

3-(N,4-dimethylanilino)propan-1-ol (PubChem CID 54144464) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(N,4-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(N,4-dimethylanilino)propan-1-ol
PubChem CID54144464
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(N,4-dimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCCO)cc1
InChIInChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeyODJSVYACYIUICE-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N,4-dimethylanilino)propan-1-ol?
The IUPAC name of 3-(N,4-dimethylanilino)propan-1-ol (CID 54144464) is 3-(N,4-dimethylanilino)propan-1-ol.
What is the SMILES notation for 3-(N,4-dimethylanilino)propan-1-ol?
The canonical SMILES for 3-(N,4-dimethylanilino)propan-1-ol is Cc1ccc(N(C)CCCO)cc1.
What is the InChIKey of 3-(N,4-dimethylanilino)propan-1-ol?
The InChIKey is ODJSVYACYIUICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-4-6-11(7-5-10)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 3-(N,4-dimethylanilino)propan-1-ol?
3-(N,4-dimethylanilino)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-dimethylanilino)propan-1-ol is sourced from PubChem (CID 54144464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).