1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine

C13H19BrN2 — CID 117202263

IUPAC1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCCN1CC(CC(C)N)c2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2/c1-3-16-8-10(6-9(2)15)12-7-11(14)4-5-13(12)16/h4-5,7,9-10H,3,6,8,15H2,1-2H3
InChIKeyCCYGMERIMACPTQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.11
Rot. Bonds3

About 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine

1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine (PubChem CID 117202263) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
PubChem CID117202263
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine
SMILESCCN1CC(CC(C)N)c2cc(Br)ccc21
InChIInChI=1S/C13H19BrN2/c1-3-16-8-10(6-9(2)15)12-7-11(14)4-5-13(12)16/h4-5,7,9-10H,3,6,8,15H2,1-2H3
InChIKeyCCYGMERIMACPTQ-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylpropan-2-amine
CID 117202264
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
CID 117202243
2-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202262
(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
CID 51601161
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201212
1-(1-ethyl-4-methyl-2,3-dihydroindol-3-yl)propan-2-amine
CID 117199608
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
1-(1-methyl-5-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 82277241
1-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propan-2-amine
CID 115006256
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277266
1-(1-ethyl-3-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 117203413
5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine (CID 117202263) is 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine is CCN1CC(CC(C)N)c2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine?
The InChIKey is CCYGMERIMACPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-3-16-8-10(6-9(2)15)12-7-11(14)4-5-13(12)16/h4-5,7,9-10H,3,6,8,15H2,1-2H3.
What are the key properties of 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine?
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine has a molecular weight of 283.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)propan-2-amine is sourced from PubChem (CID 117202263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).