4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol

C17H27NO — CID 65117177

IUPAC4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-16(2)9-11-17(19,12-10-16)14-18-13-8-15-6-4-3-5-7-15/h3-7,18-19H,8-14H2,1-2H3
InChIKeyGUZXQRPHOQXPAI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.15
Rot. Bonds5

About 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol

4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65117177) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
PubChem CID65117177
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCc2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-16(2)9-11-17(19,12-10-16)14-18-13-8-15-6-4-3-5-7-15/h3-7,18-19H,8-14H2,1-2H3
InChIKeyGUZXQRPHOQXPAI-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65119076
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
CID 65116152
[1-[(2-phenylethylamino)methyl]cyclohexyl]methanol
CID 81411898
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
1-(2-phenylethylamino)cyclopentan-1-ol
CID 67750997
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 106816883

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol (CID 65117177) is 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNCCc2ccccc2)CC1.
What is the InChIKey of 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is GUZXQRPHOQXPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2)9-11-17(19,12-10-16)14-18-13-8-15-6-4-3-5-7-15/h3-7,18-19H,8-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65117177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).