4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol

C19H31NO3 — CID 69307281

IUPAC4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol
SMILESCC(C)OC1CCC(O)(C(Cc2ccc(O)cc2)N(C)C)CC1
InChIInChI=1S/C19H31NO3/c1-14(2)23-17-9-11-19(22,12-10-17)18(20(3)4)13-15-5-7-16(21)8-6-15/h5-8,14,17-18,21-22H,9-13H2,1-4H3
InChIKeyOTKZTXUQZOGIKG-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.96
Rot. Bonds6

About 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol

4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol (PubChem CID 69307281) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol
PubChem CID69307281
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol
SMILESCC(C)OC1CCC(O)(C(Cc2ccc(O)cc2)N(C)C)CC1
InChIInChI=1S/C19H31NO3/c1-14(2)23-17-9-11-19(22,12-10-17)18(20(3)4)13-15-5-7-16(21)8-6-15/h5-8,14,17-18,21-22H,9-13H2,1-4H3
InChIKeyOTKZTXUQZOGIKG-UHFFFAOYSA-N
XLogP2.96
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
CID 82985701
4-[2-(dimethylamino)-2-(1-hydroxycyclohexyl)ethyl]-2-[[[2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]phenol
CID 68628104
4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
4-(4-cyclopentyloxy-2-methylbutyl)phenol
CID 174631344
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
cyclopentyl 2-cyclopentyloxy-3-(4-hydroxyphenyl)propanoate
CID 68869672
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
4-[2-(1-methylcyclohexyl)oxypropyl]phenol
CID 67182172
4-[2-[(1-propylcyclopropyl)methylamino]propyl]phenol
CID 114099628
2-cyclopropyl-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 79506391
4-[(2S)-2-(dimethylamino)-3-methoxybut-3-enyl]phenol
CID 59873664
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol?
The IUPAC name of 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol (CID 69307281) is 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol.
What is the SMILES notation for 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol?
The canonical SMILES for 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol is CC(C)OC1CCC(O)(C(Cc2ccc(O)cc2)N(C)C)CC1.
What is the InChIKey of 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol?
The InChIKey is OTKZTXUQZOGIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-14(2)23-17-9-11-19(22,12-10-17)18(20(3)4)13-15-5-7-16(21)8-6-15/h5-8,14,17-18,21-22H,9-13H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol?
4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol has a molecular weight of 321.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-(1-hydroxy-4-propan-2-yloxycyclohexyl)ethyl]phenol is sourced from PubChem (CID 69307281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).