1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol

C19H21Cl2NO — CID 44523538

IUPAC1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol
SMILESCN(C)CCC(O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO/c1-22(2)12-11-18(23)13-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,18,23H,11-12H2,1-2H3
InChIKeyKWWVFVUAQBXNGB-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.74
Rot. Bonds6

About 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol

1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol (PubChem CID 44523538) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol
PubChem CID44523538
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol
SMILESCN(C)CCC(O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21Cl2NO/c1-22(2)12-11-18(23)13-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,18,23H,11-12H2,1-2H3
InChIKeyKWWVFVUAQBXNGB-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol (CID 44523538) is 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol is CN(C)CCC(O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol?
The InChIKey is KWWVFVUAQBXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-22(2)12-11-18(23)13-19(14-3-7-16(20)8-4-14)15-5-9-17(21)10-6-15/h3-10,13,18,23H,11-12H2,1-2H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol?
1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol has a molecular weight of 350.29 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-5-(dimethylamino)pent-1-en-3-ol is sourced from PubChem (CID 44523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).