1-(4-chlorophenyl)-2-(dimethylamino)ethanol

C10H14ClNO — CID 11159951

IUPAC1-(4-chlorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6,10,13H,7H2,1-2H3
InChIKeyJVVMFJDNIBZNOE-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(dimethylamino)ethanol

1-(4-chlorophenyl)-2-(dimethylamino)ethanol (PubChem CID 11159951) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(dimethylamino)ethanol
PubChem CID11159951
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(4-chlorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6,10,13H,7H2,1-2H3
InChIKeyJVVMFJDNIBZNOE-UHFFFAOYSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(dimethylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(dimethylamino)ethanol (CID 11159951) is 1-(4-chlorophenyl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(dimethylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(dimethylamino)ethanol is CN(C)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(dimethylamino)ethanol?
The InChIKey is JVVMFJDNIBZNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12(2)7-10(13)8-3-5-9(11)6-4-8/h3-6,10,13H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(dimethylamino)ethanol?
1-(4-chlorophenyl)-2-(dimethylamino)ethanol has a molecular weight of 199.68 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 11159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).