3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol

C18H29NO — CID 65486914

IUPAC3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)CCc2ccccc2)C(O)C1
InChIInChI=1S/C18H29NO/c1-14-11-15(2)17(18(20)12-14)13-19(3)10-9-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyWZCAGRNPEFLULY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.20
Rot. Bonds5

About 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol

3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65486914) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
PubChem CID65486914
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN(C)CCc2ccccc2)C(O)C1
InChIInChI=1S/C18H29NO/c1-14-11-15(2)17(18(20)12-14)13-19(3)10-9-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3
InChIKeyWZCAGRNPEFLULY-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol (CID 65486914) is 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol is CC1CC(C)C(CN(C)CCc2ccccc2)C(O)C1.
What is the InChIKey of 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WZCAGRNPEFLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-11-15(2)17(18(20)12-14)13-19(3)10-9-16-7-5-4-6-8-16/h4-8,14-15,17-18,20H,9-13H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol?
3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65486914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).