(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

C18H20ClNO3 — CID 47814882

IUPAC(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc(Cl)c1OC
InChIInChI=1S/C18H20ClNO3/c1-22-16-8-11(7-14(19)18(16)23-2)10-20-17-13-6-4-3-5-12(13)9-15(17)21/h3-8,15,17,20-21H,9-10H2,1-2H3/t15-,17+/m0/s1
InChIKeyKAPPUHVSBRDMCP-DOTOQJQBSA-N
MW333.82 g/mol
LogP3.11
Rot. Bonds5

About (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 47814882) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID47814882
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc(Cl)c1OC
InChIInChI=1S/C18H20ClNO3/c1-22-16-8-11(7-14(19)18(16)23-2)10-20-17-13-6-4-3-5-12(13)9-15(17)21/h3-8,15,17,20-21H,9-10H2,1-2H3/t15-,17+/m0/s1
InChIKeyKAPPUHVSBRDMCP-DOTOQJQBSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463306
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclohexanamine
CID 834342
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357920
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 43792280
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792571
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 47814882) is (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is COc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc(Cl)c1OC.
What is the InChIKey of (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is KAPPUHVSBRDMCP-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-16-8-11(7-14(19)18(16)23-2)10-20-17-13-6-4-3-5-12(13)9-15(17)21/h3-8,15,17,20-21H,9-10H2,1-2H3/t15-,17+/m0/s1.
What are the key properties of (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 333.82 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 47814882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).