1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol

C16H25NO — CID 92846014

IUPAC1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
SMILESCN(C)C[C@H](c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H25NO/c1-17(2)13-15(14-9-5-3-6-10-14)16(18)11-7-4-8-12-16/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3/t15-/m1/s1
InChIKeyQOVGVRHIJYHFST-OAHLLOKOSA-N
MW247.38 g/mol
LogP3.03
Rot. Bonds4

About 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol

1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol (PubChem CID 92846014) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
PubChem CID92846014
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
SMILESCN(C)C[C@H](c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H25NO/c1-17(2)13-15(14-9-5-3-6-10-14)16(18)11-7-4-8-12-16/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3/t15-/m1/s1
InChIKeyQOVGVRHIJYHFST-OAHLLOKOSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol (CID 92846014) is 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol is CN(C)C[C@H](c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol?
The InChIKey is QOVGVRHIJYHFST-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(2)13-15(14-9-5-3-6-10-14)16(18)11-7-4-8-12-16/h3,5-6,9-10,15,18H,4,7-8,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol?
1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol is sourced from PubChem (CID 92846014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).