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

C19H31NO — CID 22447895

IUPAC1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCCCCC1(O)CCCCC1Cc1ccccc1N(C)C
InChIInChI=1S/C19H31NO/c1-4-5-13-19(21)14-9-8-11-17(19)15-16-10-6-7-12-18(16)20(2)3/h6-7,10,12,17,21H,4-5,8-9,11,13-15H2,1-3H3
InChIKeyQTNKJMRCZJFIDG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.41
Rot. Bonds6

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

1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (PubChem CID 22447895) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
PubChem CID22447895
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol
SMILESCCCCC1(O)CCCCC1Cc1ccccc1N(C)C
InChIInChI=1S/C19H31NO/c1-4-5-13-19(21)14-9-8-11-17(19)15-16-10-6-7-12-18(16)20(2)3/h6-7,10,12,17,21H,4-5,8-9,11,13-15H2,1-3H3
InChIKeyQTNKJMRCZJFIDG-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol (CID 22447895) is 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is CCCCC1(O)CCCCC1Cc1ccccc1N(C)C.
What is the InChIKey of 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is QTNKJMRCZJFIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-5-13-19(21)14-9-8-11-17(19)15-16-10-6-7-12-18(16)20(2)3/h6-7,10,12,17,21H,4-5,8-9,11,13-15H2,1-3H3.
What are the key properties of 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol?
1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[[2-(dimethylamino)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 22447895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).