(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

C20H25NO3 — CID 111114380

IUPAC(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(OC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)24-19-11-16(23-3)9-8-15(19)12-21-20-17-7-5-4-6-14(17)10-18(20)22/h4-9,11,13,18,20-22H,10,12H2,1-3H3/t18-,20+/m0/s1
InChIKeyNAAVQWAVDIJUHI-AZUAARDMSA-N
MW327.42 g/mol
LogP3.23
Rot. Bonds6

About (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 111114380) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID111114380
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(OC(C)C)c1
InChIInChI=1S/C20H25NO3/c1-13(2)24-19-11-16(23-3)9-8-15(19)12-21-20-17-7-5-4-6-14(17)10-18(20)22/h4-9,11,13,18,20-22H,10,12H2,1-3H3/t18-,20+/m0/s1
InChIKeyNAAVQWAVDIJUHI-AZUAARDMSA-N
XLogP3.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463114
(1R,2S)-1-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814882
(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
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531349
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 171674164
(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 49463280
(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110910816

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 111114380) is (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(OC(C)C)c1.
What is the InChIKey of (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is NAAVQWAVDIJUHI-AZUAARDMSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(2)24-19-11-16(23-3)9-8-15(19)12-21-20-17-7-5-4-6-14(17)10-18(20)22/h4-9,11,13,18,20-22H,10,12H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 327.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 111114380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).