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

C12H18N2O — CID 62206064

IUPAC1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C12H18N2O/c1-13-6-12(15)9-14-7-10-4-2-3-5-11(10)8-14/h2-5,12-13,15H,6-9H2,1H3
InChIKeyQNFMMFYUGYYVHH-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.58
Rot. Bonds4

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

1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol (PubChem CID 62206064) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol
PubChem CID62206064
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C12H18N2O/c1-13-6-12(15)9-14-7-10-4-2-3-5-11(10)8-14/h2-5,12-13,15H,6-9H2,1H3
InChIKeyQNFMMFYUGYYVHH-UHFFFAOYSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol (CID 62206064) is 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol is CNCC(O)CN1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol?
The InChIKey is QNFMMFYUGYYVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-6-12(15)9-14-7-10-4-2-3-5-11(10)8-14/h2-5,12-13,15H,6-9H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol?
1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 62206064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).