1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol

C22H29NO2 — CID 20534814

IUPAC1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CNCCc2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-25-21-12-7-11-19(16-21)22(24)14-6-5-10-20(22)17-23-15-13-18-8-3-2-4-9-18/h2-4,7-9,11-12,16,20,23-24H,5-6,10,13-15,17H2,1H3
InChIKeyOXVYUXGCSZJZHC-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.91
Rot. Bonds7

About 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol

1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol (PubChem CID 20534814) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol
PubChem CID20534814
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2CNCCc2ccccc2)c1
InChIInChI=1S/C22H29NO2/c1-25-21-12-7-11-19(16-21)22(24)14-6-5-10-20(22)17-23-15-13-18-8-3-2-4-9-18/h2-4,7-9,11-12,16,20,23-24H,5-6,10,13-15,17H2,1H3
InChIKeyOXVYUXGCSZJZHC-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-[(dibenzylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrobromide
CID 155890264
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
[(1S,2R)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium
CID 7083191
cis-(1R,2R)-1-[3-(trideuteriomethoxy)phenyl]-2-[(trideuteriomethylamino)methyl]cyclohexan-1-ol
CID 59253436
[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-trimethylazanium iodide
CID 163331114
1-[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine oxide
CID 22016064
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
2-(azepan-1-ylmethyl)-1-(3-methoxyphenyl)cycloheptan-1-ol
CID 68801883
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 21196480
ethyl-[[2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-dimethylazanium iodide
CID 44662031
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-dimethylazanium benzoate
CID 139087722

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol (CID 20534814) is 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol is COc1cccc(C2(O)CCCCC2CNCCc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is OXVYUXGCSZJZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-25-21-12-7-11-19(16-21)22(24)14-6-5-10-20(22)17-23-15-13-18-8-3-2-4-9-18/h2-4,7-9,11-12,16,20,23-24H,5-6,10,13-15,17H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol?
1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 339.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2-phenylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 20534814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).