4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol

C16H25NO — CID 20692221

IUPAC4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
SMILESCC1(C)CC(N)CC(C)(C)C1(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-14(2)10-13(17)11-15(3,4)16(14,18)12-8-6-5-7-9-12/h5-9,13,18H,10-11,17H2,1-4H3
InChIKeyVYHZIESLZYQHSR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds1

About 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol

4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol (PubChem CID 20692221) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
PubChem CID20692221
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol
SMILESCC1(C)CC(N)CC(C)(C)C1(O)c1ccccc1
InChIInChI=1S/C16H25NO/c1-14(2)10-13(17)11-15(3,4)16(14,18)12-8-6-5-7-9-12/h5-9,13,18H,10-11,17H2,1-4H3
InChIKeyVYHZIESLZYQHSR-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-1-phenylcyclohexan-1-ol
CID 3039766
3-amino-1-phenylcyclohexan-1-ol
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(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
sodium;hydride;3,3,4,4-tetramethylcyclopentan-1-amine
CID 173274170
2-methyl-2-phenyl-3,5,6,7,8,8a-hexahydro-1H-indolizin-7-amine
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trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
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CID 125492615

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol?
The IUPAC name of 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol (CID 20692221) is 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol?
The canonical SMILES for 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol is CC1(C)CC(N)CC(C)(C)C1(O)c1ccccc1.
What is the InChIKey of 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol?
The InChIKey is VYHZIESLZYQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)10-13(17)11-15(3,4)16(14,18)12-8-6-5-7-9-12/h5-9,13,18H,10-11,17H2,1-4H3.
What are the key properties of 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol?
4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,6,6-tetramethyl-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 20692221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).