[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol

C9H12N2O — CID 130900884

IUPAC[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESNc1cccc2c1CN[C@@H]2CO
InChIInChI=1S/C9H12N2O/c10-8-3-1-2-6-7(8)4-11-9(6)5-12/h1-3,9,11-12H,4-5,10H2/t9-/m1/s1
InChIKeyJIACIENKESOWDX-SECBINFHSA-N
MW164.21 g/mol
LogP0.41
Rot. Bonds1

About [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol

[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol (PubChem CID 130900884) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
PubChem CID130900884
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESNc1cccc2c1CN[C@@H]2CO
InChIInChI=1S/C9H12N2O/c10-8-3-1-2-6-7(8)4-11-9(6)5-12/h1-3,9,11-12H,4-5,10H2/t9-/m1/s1
InChIKeyJIACIENKESOWDX-SECBINFHSA-N
XLogP0.41
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(1S)-4-ethenyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130703927
1-(oxolan-3-yl)-2,3-dihydro-1H-isoindol-4-amine;hydrochloride
CID 175869105
[(1R)-5-bromo-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96994557
[(1R)-5-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 130607756
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 165456162
3-(4-amino-2,3-dihydro-1H-isoindol-1-yl)-3-fluoropiperidine-2,6-dione
CID 70267564
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
[2-(2-aminophenyl)cyclopropyl]methanol
CID 115012846
(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
CID 125469550
1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 3152573
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
CID 129390481

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol (CID 130900884) is [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol is Nc1cccc2c1CN[C@@H]2CO.
What is the InChIKey of [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol?
The InChIKey is JIACIENKESOWDX-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-3-1-2-6-7(8)4-11-9(6)5-12/h1-3,9,11-12H,4-5,10H2/t9-/m1/s1.
What are the key properties of [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol?
[(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol has a molecular weight of 164.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-4-amino-2,3-dihydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 130900884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).