(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol

C24H33NO4 — CID 7088125

IUPAC(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(C2(CN(C)C[C@@H](O)COc3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C24H33NO4/c1-25(16-20(26)17-29-21-9-5-4-6-10-21)18-24(13-7-8-14-24)19-11-12-22(27-2)23(15-19)28-3/h4-6,9-12,15,20,26H,7-8,13-14,16-18H2,1-3H3/t20-/m1/s1
InChIKeySQYOCJDTNKQMSJ-HXUWFJFHSA-N
MW399.53 g/mol
LogP3.89
Rot. Bonds10

About (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol

(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol (PubChem CID 7088125) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol
PubChem CID7088125
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol
SMILESCOc1ccc(C2(CN(C)C[C@@H](O)COc3ccccc3)CCCC2)cc1OC
InChIInChI=1S/C24H33NO4/c1-25(16-20(26)17-29-21-9-5-4-6-10-21)18-24(13-7-8-14-24)19-11-12-22(27-2)23(15-19)28-3/h4-6,9-12,15,20,26H,7-8,13-14,16-18H2,1-3H3/t20-/m1/s1
InChIKeySQYOCJDTNKQMSJ-HXUWFJFHSA-N
XLogP3.89
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
2-[(1S)-3-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-1-phenylpropyl]phenol
CID 40914225
1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-phenoxypropan-2-ol
CID 132777879
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
(2S)-1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 26009134
1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 17479987
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
(2R)-1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 2508986
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
CID 111490306
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
1-[benzyl(methyl)amino]-3-[2-methoxy-5-[(2-phenoxyethylamino)methyl]phenoxy]propan-2-ol
CID 45242008

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol (CID 7088125) is (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol is COc1ccc(C2(CN(C)C[C@@H](O)COc3ccccc3)CCCC2)cc1OC.
What is the InChIKey of (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol?
The InChIKey is SQYOCJDTNKQMSJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33NO4/c1-25(16-20(26)17-29-21-9-5-4-6-10-21)18-24(13-7-8-14-24)19-11-12-22(27-2)23(15-19)28-3/h4-6,9-12,15,20,26H,7-8,13-14,16-18H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol?
(2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol has a molecular weight of 399.53 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl-methylamino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 7088125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).