1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol

C18H21Cl2NO — CID 52946911

IUPAC1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-21(2)13-3-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,22H,3,12-13H2,1-2H3
InChIKeyHLDRWGIUUGWICY-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.57
Rot. Bonds6

About 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol

1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol (PubChem CID 52946911) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
PubChem CID52946911
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
SMILESCN(C)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-21(2)13-3-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,22H,3,12-13H2,1-2H3
InChIKeyHLDRWGIUUGWICY-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol (CID 52946911) is 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol is CN(C)CCCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol?
The InChIKey is HLDRWGIUUGWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-21(2)13-3-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,22H,3,12-13H2,1-2H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol?
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol has a molecular weight of 338.28 g/mol, XLogP of 4.57, 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)-4-(dimethylamino)butan-1-ol is sourced from PubChem (CID 52946911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).