2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol

C23H31NO2 — CID 22642997

IUPAC2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol
SMILESCOc1cccc(CC2CCC(CN(C)C)C2(O)c2cccc(C)c2)c1
InChIInChI=1S/C23H31NO2/c1-17-7-5-9-19(13-17)23(25)20(11-12-21(23)16-24(2)3)14-18-8-6-10-22(15-18)26-4/h5-10,13,15,20-21,25H,11-12,14,16H2,1-4H3
InChIKeyWDVTZUPGRZAFTR-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.02
Rot. Bonds6

About 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol

2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol (PubChem CID 22642997) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol
PubChem CID22642997
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol
SMILESCOc1cccc(CC2CCC(CN(C)C)C2(O)c2cccc(C)c2)c1
InChIInChI=1S/C23H31NO2/c1-17-7-5-9-19(13-17)23(25)20(11-12-21(23)16-24(2)3)14-18-8-6-10-22(15-18)26-4/h5-10,13,15,20-21,25H,11-12,14,16H2,1-4H3
InChIKeyWDVTZUPGRZAFTR-UHFFFAOYSA-N
XLogP4.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 22221697
3-[(dimethylamino)methyl]-2-(3-methoxyphenyl)bicyclo[4.2.0]octan-2-ol
CID 123593533
(1R,3R,6R)-6-[(dimethylamino)methyl]-1-methylcyclohexane-1,3-diol;1-methoxy-3-methylbenzene
CID 143951121
(7E)-2-[(dimethylamino)methyl]-7-[(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)cycloheptan-1-ol
CID 69338708
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105696
(1S,2S,5S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-5-methylcyclohexan-1-ol;hydrochloride
CID 70216938
1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
trans-(3R,4S)-4-[(dimethylamino)methyl]-3-hydroxy-3-(3-methoxyphenyl)cyclohexan-1-one
CID 67309947
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol (CID 22642997) is 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol is COc1cccc(CC2CCC(CN(C)C)C2(O)c2cccc(C)c2)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol?
The InChIKey is WDVTZUPGRZAFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-17-7-5-9-19(13-17)23(25)20(11-12-21(23)16-24(2)3)14-18-8-6-10-22(15-18)26-4/h5-10,13,15,20-21,25H,11-12,14,16H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol?
2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol has a molecular weight of 353.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 22642997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).