1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol

C21H26ClNO — CID 22447847

IUPAC1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c1-23(2)20-9-4-3-7-16(20)15-18-8-5-6-14-21(18,24)17-10-12-19(22)13-11-17/h3-4,7,9-13,18,24H,5-6,8,14-15H2,1-2H3
InChIKeyZRPGVNISBGHMFC-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.03
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol

1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (PubChem CID 22447847) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
PubChem CID22447847
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCN(C)c1ccccc1CC1CCCCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c1-23(2)20-9-4-3-7-16(20)15-18-8-5-6-14-21(18,24)17-10-12-19(22)13-11-17/h3-4,7,9-13,18,24H,5-6,8,14-15H2,1-2H3
InChIKeyZRPGVNISBGHMFC-UHFFFAOYSA-N
XLogP5.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.03
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-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (CID 22447847) is 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is CN(C)c1ccccc1CC1CCCCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is ZRPGVNISBGHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-23(2)20-9-4-3-7-16(20)15-18-8-5-6-14-21(18,24)17-10-12-19(22)13-11-17/h3-4,7,9-13,18,24H,5-6,8,14-15H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 343.90 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 22447847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).