2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol

C14H24N2O — CID 782580

IUPAC2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-9-16(10-11-17)12-13-5-7-14(8-6-13)15(2)3/h5-8,17H,4,9-12H2,1-3H3
InChIKeyHLPVZWWLWLHLKS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.96
Rot. Bonds7

About 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol

2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol (PubChem CID 782580) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol
PubChem CID782580
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-9-16(10-11-17)12-13-5-7-14(8-6-13)15(2)3/h5-8,17H,4,9-12H2,1-3H3
InChIKeyHLPVZWWLWLHLKS-UHFFFAOYSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol (CID 782580) is 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol?
The InChIKey is HLPVZWWLWLHLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-9-16(10-11-17)12-13-5-7-14(8-6-13)15(2)3/h5-8,17H,4,9-12H2,1-3H3.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol?
2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl-propylamino]ethanol is sourced from PubChem (CID 782580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).