4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol

C22H29NO2 — CID 21260460

IUPAC4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol
SMILESCN(CCC(O)c1ccccc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H29NO2/c1-23(16-15-22(25)19-5-3-2-4-6-19)20-11-7-17(8-12-20)18-9-13-21(24)14-10-18/h2-6,9-10,13-14,17,20,22,24-25H,7-8,11-12,15-16H2,1H3
InChIKeyPYLCRHZKVNNWBA-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.47
Rot. Bonds6

About 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol

4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol (PubChem CID 21260460) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol
PubChem CID21260460
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol
SMILESCN(CCC(O)c1ccccc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H29NO2/c1-23(16-15-22(25)19-5-3-2-4-6-19)20-11-7-17(8-12-20)18-9-13-21(24)14-10-18/h2-6,9-10,13-14,17,20,22,24-25H,7-8,11-12,15-16H2,1H3
InChIKeyPYLCRHZKVNNWBA-UHFFFAOYSA-N
XLogP4.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-hydroxy-3-phenylpropyl)amino]cyclohexyl]phenol
CID 21260507
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
CID 72857742
1-(4-cyclopropylphenyl)octan-1-ol
CID 79980004
(1S)-3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 97113424
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide
CID 59648964
3-[2-(dimethylamino)ethyl-methylamino]-1-phenylpropan-1-ol
CID 63700698
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol?
The IUPAC name of 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol (CID 21260460) is 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol is CN(CCC(O)c1ccccc1)C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol?
The InChIKey is PYLCRHZKVNNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-23(16-15-22(25)19-5-3-2-4-6-19)20-11-7-17(8-12-20)18-9-13-21(24)14-10-18/h2-6,9-10,13-14,17,20,22,24-25H,7-8,11-12,15-16H2,1H3.
What are the key properties of 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol?
4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol has a molecular weight of 339.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxy-3-phenylpropyl)-methylamino]cyclohexyl]phenol is sourced from PubChem (CID 21260460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).