2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol

C15H23NO — CID 3047065

IUPAC2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-16(2)12-14-10-6-7-11-15(14,17)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3
InChIKeyWQORSXSMHRZJRV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol

2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol (PubChem CID 3047065) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
PubChem CID3047065
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol
SMILESCN(C)CC1CCCCC1(O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-16(2)12-14-10-6-7-11-15(14,17)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3
InChIKeyWQORSXSMHRZJRV-UHFFFAOYSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol (CID 3047065) is 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol is CN(C)CC1CCCCC1(O)c1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
The InChIKey is WQORSXSMHRZJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(2)12-14-10-6-7-11-15(14,17)13-8-4-3-5-9-13/h3-5,8-9,14,17H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol?
2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 3047065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).