2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol

C11H16N2O — CID 64788964

IUPAC2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESNC(CO)CN1Cc2ccccc2C1
InChIInChI=1S/C11H16N2O/c12-11(8-14)7-13-5-9-3-1-2-4-10(9)6-13/h1-4,11,14H,5-8,12H2
InChIKeyIZEQEJSSUZFHLW-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.32
Rot. Bonds3

About 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol

2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol (PubChem CID 64788964) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol
PubChem CID64788964
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESNC(CO)CN1Cc2ccccc2C1
InChIInChI=1S/C11H16N2O/c12-11(8-14)7-13-5-9-3-1-2-4-10(9)6-13/h1-4,11,14H,5-8,12H2
InChIKeyIZEQEJSSUZFHLW-UHFFFAOYSA-N
XLogP0.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64786248
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
2-amino-4-(1,3-dihydroisoindol-2-yl)butanamide
CID 63054697
3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441
2-(2,2-dimethoxyethyl)-1,3-dihydroisoindole
CID 66223848
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
2-(1,3-dihydroisoindol-2-ylmethyl)-3,3,3-trifluoropropanethioamide
CID 103368685
1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 55080824
(2S)-3-methyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 112736651
2-methyl-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-ol
CID 115873061
2-(2,2-diethoxyethyl)-1,3-dihydroisoindole
CID 63617166
2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol (CID 64788964) is 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol is NC(CO)CN1Cc2ccccc2C1.
What is the InChIKey of 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The InChIKey is IZEQEJSSUZFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11(8-14)7-13-5-9-3-1-2-4-10(9)6-13/h1-4,11,14H,5-8,12H2.
What are the key properties of 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol?
2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-dihydroisoindol-2-yl)propan-1-ol is sourced from PubChem (CID 64788964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).