1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol

C12H18N2O — CID 3056693

IUPAC1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol
SMILESCC(O)C/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-10(15)8-13-9-11-4-6-12(7-5-11)14(2)3/h4-7,9-10,15H,8H2,1-3H3/b13-9+
InChIKeyZBLYQULEPPNDGH-UKTHLTGXSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds4

About 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol

1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol (PubChem CID 3056693) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol
PubChem CID3056693
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol
SMILESCC(O)C/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C12H18N2O/c1-10(15)8-13-9-11-4-6-12(7-5-11)14(2)3/h4-7,9-10,15H,8H2,1-3H3/b13-9+
InChIKeyZBLYQULEPPNDGH-UKTHLTGXSA-N
XLogP1.55
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol (CID 3056693) is 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol is CC(O)C/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol?
The InChIKey is ZBLYQULEPPNDGH-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(15)8-13-9-11-4-6-12(7-5-11)14(2)3/h4-7,9-10,15H,8H2,1-3H3/b13-9+.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol?
1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methylideneamino]propan-2-ol is sourced from PubChem (CID 3056693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).