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

C19H23NO2 — CID 49463114

IUPAC(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)Oc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H23NO2/c1-13(2)22-16-8-5-6-14(10-16)12-20-19-17-9-4-3-7-15(17)11-18(19)21/h3-10,13,18-21H,11-12H2,1-2H3/t18-,19+/m0/s1
InChIKeyJFNWPUMMGDFMDX-RBUKOAKNSA-N
MW297.40 g/mol
LogP3.22
Rot. Bonds5

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

(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 49463114) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID49463114
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)Oc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H23NO2/c1-13(2)22-16-8-5-6-14(10-16)12-20-19-17-9-4-3-7-15(17)11-18(19)21/h3-10,13,18-21H,11-12H2,1-2H3/t18-,19+/m0/s1
InChIKeyJFNWPUMMGDFMDX-RBUKOAKNSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-[(3-phenoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 52806530
(1R,2S)-1-[(3-phenylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47075671
(1R,2S)-1-[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 111114380
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
(1R,2S)-1-[(4-propoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110910816
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
methyl 2-[3-[2-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-4-sulfanylphenoxy]phenyl]acetate
CID 163982568

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 49463114) is (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is CC(C)Oc1cccc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1.
What is the InChIKey of (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is JFNWPUMMGDFMDX-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(2)22-16-8-5-6-14(10-16)12-20-19-17-9-4-3-7-15(17)11-18(19)21/h3-10,13,18-21H,11-12H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 297.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(3-propan-2-yloxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 49463114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).