2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine

C13H20N2 — CID 117203437

IUPAC2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCCN1CC(C)c2cc(CCN)ccc21
InChIInChI=1S/C13H20N2/c1-3-15-9-10(2)12-8-11(6-7-14)4-5-13(12)15/h4-5,8,10H,3,6-7,9,14H2,1-2H3
InChIKeyNGYSLVRCMZZZQT-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.13
Rot. Bonds3

About 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine

2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine (PubChem CID 117203437) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
PubChem CID117203437
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
SMILESCCN1CC(C)c2cc(CCN)ccc21
InChIInChI=1S/C13H20N2/c1-3-15-9-10(2)12-8-11(6-7-14)4-5-13(12)15/h4-5,8,10H,3,6-7,9,14H2,1-2H3
InChIKeyNGYSLVRCMZZZQT-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
CID 117203809
1-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 117203413
2-(1-ethyl-3-methyl-2,3-dihydroindol-7-yl)ethanamine
CID 117204145
2-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)acetaldehyde
CID 117203691
5-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 58525500
2-(1-ethyl-2-methyl-2,3-dihydroindol-6-yl)ethanamine
CID 117203608
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311
3-(5-chloro-1-ethyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 117202272
3-(3-aminopropyl)-1-ethyl-2,3-dihydroindol-5-ol
CID 117202604
1-(1,3-dimethyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 117203434
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine?
The IUPAC name of 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine (CID 117203437) is 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine?
The canonical SMILES for 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine is CCN1CC(C)c2cc(CCN)ccc21.
What is the InChIKey of 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine?
The InChIKey is NGYSLVRCMZZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-15-9-10(2)12-8-11(6-7-14)4-5-13(12)15/h4-5,8,10H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine?
2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine is sourced from PubChem (CID 117203437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).