1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol

C17H27NO — CID 14739944

IUPAC1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol
SMILESCc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)16(13-18(2)3)17(19)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyOPDPMFSQSBDMAI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol

1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol (PubChem CID 14739944) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol
PubChem CID14739944
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol
SMILESCc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)16(13-18(2)3)17(19)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyOPDPMFSQSBDMAI-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol (CID 14739944) is 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol is Cc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is OPDPMFSQSBDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-7-9-15(10-8-14)16(13-18(2)3)17(19)11-5-4-6-12-17/h7-10,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol?
1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-(4-methylphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 14739944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).