3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

C20H33NO — CID 110830706

IUPAC3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)CCN(C)C2CCCCC2)c1C
InChIInChI=1S/C20H33NO/c1-14-13-15(2)17(4)20(16(14)3)19(22)11-12-21(5)18-9-7-6-8-10-18/h13,18-19,22H,6-12H2,1-5H3
InChIKeyGWZZOJHQDKTNEO-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.61
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (PubChem CID 110830706) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
PubChem CID110830706
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)CCN(C)C2CCCCC2)c1C
InChIInChI=1S/C20H33NO/c1-14-13-15(2)17(4)20(16(14)3)19(22)11-12-21(5)18-9-7-6-8-10-18/h13,18-19,22H,6-12H2,1-5H3
InChIKeyGWZZOJHQDKTNEO-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-[cyclohexyl(methyl)amino]-1-(4-propan-2-yloxyphenyl)propan-1-ol
CID 82073844
4-chloro-1-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 82117476
2-[cyclopentyl(methyl)amino]-1-(3,5-dimethylphenyl)ethanol
CID 79040937
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
CID 63030150
2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
1-(4-chloro-3,5-dimethylphenoxy)-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 3416899
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
2-[cyclohexyl(methyl)amino]ethanol;hydrochloride
CID 69010720
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (CID 110830706) is 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is Cc1cc(C)c(C)c(C(O)CCN(C)C2CCCCC2)c1C.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The InChIKey is GWZZOJHQDKTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-14-13-15(2)17(4)20(16(14)3)19(22)11-12-21(5)18-9-7-6-8-10-18/h13,18-19,22H,6-12H2,1-5H3.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol has a molecular weight of 303.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is sourced from PubChem (CID 110830706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).