3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol

C13H20N2O — CID 84787556

IUPAC3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
SMILESCCN1Cc2ccc(C(O)CCN)cc2C1
InChIInChI=1S/C13H20N2O/c1-2-15-8-11-4-3-10(7-12(11)9-15)13(16)5-6-14/h3-4,7,13,16H,2,5-6,8-9,14H2,1H3
InChIKeyAVOCIHDWQSEONX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.40
Rot. Bonds4

About 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol

3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol (PubChem CID 84787556) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
PubChem CID84787556
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol
SMILESCCN1Cc2ccc(C(O)CCN)cc2C1
InChIInChI=1S/C13H20N2O/c1-2-15-8-11-4-3-10(7-12(11)9-15)13(16)5-6-14/h3-4,7,13,16H,2,5-6,8-9,14H2,1H3
InChIKeyAVOCIHDWQSEONX-UHFFFAOYSA-N
XLogP1.40
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol (CID 84787556) is 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol is CCN1Cc2ccc(C(O)CCN)cc2C1.
What is the InChIKey of 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol?
The InChIKey is AVOCIHDWQSEONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-8-11-4-3-10(7-12(11)9-15)13(16)5-6-14/h3-4,7,13,16H,2,5-6,8-9,14H2,1H3.
What are the key properties of 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol?
3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethyl-1,3-dihydroisoindol-5-yl)propan-1-ol is sourced from PubChem (CID 84787556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).