2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol

C17H27NO — CID 134970461

IUPAC2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
SMILES[2H]C([2H])(NC(C)(C)C1CCC(C)CC1O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/i12D2
InChIKeyXKSSDCSYKIZORR-XUWBISKJSA-N
MW263.42 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 134970461) has the molecular formula C17H27NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID134970461
Molecular FormulaC17H27NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
SMILES[2H]C([2H])(NC(C)(C)C1CCC(C)CC1O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/i12D2
InChIKeyXKSSDCSYKIZORR-XUWBISKJSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol (CID 134970461) is 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol is [2H]C([2H])(NC(C)(C)C1CCC(C)CC1O)c1ccccc1.
What is the InChIKey of 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is XKSSDCSYKIZORR-XUWBISKJSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-10-15(16(19)11-13)17(2,3)18-12-14-7-5-4-6-8-14/h4-8,13,15-16,18-19H,9-12H2,1-3H3/i12D2.
What are the key properties of 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 134970461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).