N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine

C13H20N2 — CID 115105185

IUPACN-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2/c1-10(2)15-6-5-11-3-4-12-8-14-9-13(12)7-11/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3
InChIKeyOEFNLRVULLFKGO-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.83
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine

N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine (PubChem CID 115105185) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
PubChem CID115105185
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H20N2/c1-10(2)15-6-5-11-3-4-12-8-14-9-13(12)7-11/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3
InChIKeyOEFNLRVULLFKGO-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-[2-(propan-2-ylamino)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 164924976
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
CID 105457920
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
1-methyl-6-[2-(propan-2-ylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 82479603
N-propan-2-yl-2,3-dihydro-1H-isoindol-5-amine
CID 66657110
3-(2,3-dihydro-1H-indol-6-yl)-N-propan-2-ylpropan-1-amine
CID 115105435
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine (CID 115105185) is N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine?
The InChIKey is OEFNLRVULLFKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)15-6-5-11-3-4-12-8-14-9-13(12)7-11/h3-4,7,10,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine?
N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115105185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).