1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol

C17H27NO — CID 118118928

IUPAC1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])([2H])N(C)C[C@H](c1ccc(C)cc1)C1(O)CCCCC1
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/t16-/m1/s1/i2D3
InChIKeyOPDPMFSQSBDMAI-ZMAHMCKTSA-N
MW264.43 g/mol
LogP3.34
Rot. Bonds5

About 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol

1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol (PubChem CID 118118928) has the molecular formula C17H27NO and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
PubChem CID118118928
Molecular FormulaC17H27NO
Molecular Weight264.43 g/mol
Exact Mass264.23
IUPAC Name1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol
SMILES[2H]C([2H])([2H])N(C)C[C@H](c1ccc(C)cc1)C1(O)CCCCC1
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/t16-/m1/s1/i2D3
InChIKeyOPDPMFSQSBDMAI-ZMAHMCKTSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
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-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol (CID 118118928) is 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol is [2H]C([2H])([2H])N(C)C[C@H](c1ccc(C)cc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol?
The InChIKey is OPDPMFSQSBDMAI-ZMAHMCKTSA-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/t16-/m1/s1/i2D3.
What are the key properties of 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol?
1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol has a molecular weight of 264.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methylphenyl)-2-[methyl(trideuteriomethyl)amino]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 118118928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).