(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol

C14H21NO — CID 99831571

IUPAC(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)CCN[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C14H21NO/c1-10(2)7-8-15-13-9-11-5-3-4-6-12(11)14(13)16/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyOWNKLZVDRKSERM-UONOGXRCSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds4

About (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol

(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol (PubChem CID 99831571) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
PubChem CID99831571
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCC(C)CCN[C@H]1Cc2ccccc2[C@H]1O
InChIInChI=1S/C14H21NO/c1-10(2)7-8-15-13-9-11-5-3-4-6-12(11)14(13)16/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14+/m0/s1
InChIKeyOWNKLZVDRKSERM-UONOGXRCSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylmethylamino)-2,3-dihydro-1H-inden-1-ol
CID 76775232
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one
CID 19995564
N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 97335580
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
(1S,2R)-2-[(5-tert-butyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-1-ol
CID 124726602
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R)-1-N,2-N-di(propan-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 58384358

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol (CID 99831571) is (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol is CC(C)CCN[C@H]1Cc2ccccc2[C@H]1O.
What is the InChIKey of (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OWNKLZVDRKSERM-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)7-8-15-13-9-11-5-3-4-6-12(11)14(13)16/h3-6,10,13-16H,7-9H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol?
(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 99831571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).