3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol

C15H23NO2 — CID 21121346

IUPAC3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
SMILESCC(C)(N)C1CCCCC1(O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3
InChIKeyMGAAWASJXFRKKK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.51
Rot. Bonds2

About 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol

3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol (PubChem CID 21121346) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol.

Molecular Properties

Compound Name3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
PubChem CID21121346
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
SMILESCC(C)(N)C1CCCCC1(O)c1cccc(O)c1
InChIInChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3
InChIKeyMGAAWASJXFRKKK-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
[(1R,2R)-2-hydroxy-2-(3-hydroxyphenyl)cyclohexyl]methyl-dimethylazanium chloride
CID 122174016
3-[1-(dimethylamino)cyclopentyl]phenol
CID 115024208
cis-(1S,2S)-1-(3-deuteriooxyphenyl)-2-[[methyl(trideuteriomethyl)amino]methyl]cyclohexan-1-ol
CID 25182362
1,1-dideuterio-1-[(1S,2S)-2-deuteriooxy-2-(3-deuteriooxyphenyl)cyclohexyl]-N,N-dimethylmethanamine
CID 25182964
3-(1-aminocyclobutyl)phenol
CID 82596466
3-[(3aR,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]phenol
CID 102234492
3-(1-aminocyclopropyl)phenol
CID 55296554
2-tert-butyl-1-quinolin-3-ylcyclohexan-1-ol
CID 60925074
2-(2-aminopropan-2-yl)-1-[2,3-dichloro-4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol
CID 69136403
2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
CID 19862215

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The IUPAC name of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol (CID 21121346) is 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol.
What is the SMILES notation for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The canonical SMILES for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol is CC(C)(N)C1CCCCC1(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
The InChIKey is MGAAWASJXFRKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(2,16)13-8-3-4-9-15(13,18)11-6-5-7-12(17)10-11/h5-7,10,13,17-18H,3-4,8-9,16H2,1-2H3.
What are the key properties of 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol?
3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol is sourced from PubChem (CID 21121346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).