1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine

C13H18N2 — CID 83832101

IUPAC1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C13H18N2/c1-9(14)10-2-3-11-7-15(13-4-5-13)8-12(11)6-10/h2-3,6,9,13H,4-5,7-8,14H2,1H3
InChIKeyNYCJBHBNJXEQCD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.18
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine (PubChem CID 83832101) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
PubChem CID83832101
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)CN(C1CC1)C2
InChIInChI=1S/C13H18N2/c1-9(14)10-2-3-11-7-15(13-4-5-13)8-12(11)6-10/h2-3,6,9,13H,4-5,7-8,14H2,1H3
InChIKeyNYCJBHBNJXEQCD-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanol
CID 117291887
1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine
CID 146221659
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propan-2-ol
CID 117309876
(1S)-1-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethanamine;hydrochloride
CID 169081091
3-cyclopropyl-3-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117431438
(1R)-1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 78934597
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-dihydroisoindol-5-amine
CID 65470527
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
1-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamine
CID 82175784
1-(3-methyl-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 83827545
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindol-5-amine
CID 64743877

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine?
The IUPAC name of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine (CID 83832101) is 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine?
The canonical SMILES for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine is CC(N)c1ccc2c(c1)CN(C1CC1)C2.
What is the InChIKey of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine?
The InChIKey is NYCJBHBNJXEQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(14)10-2-3-11-7-15(13-4-5-13)8-12(11)6-10/h2-3,6,9,13H,4-5,7-8,14H2,1H3.
What are the key properties of 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine?
1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)ethanamine is sourced from PubChem (CID 83832101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).