3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine

C12H17BrN2 — CID 83867014

IUPAC3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C12H17BrN2/c1-8(7-14)4-11-6-9-5-10(13)2-3-12(9)15-11/h2-3,5,8,11,15H,4,6-7,14H2,1H3
InChIKeySEWZSMHIGGJFRV-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.77
Rot. Bonds3

About 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine

3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine (PubChem CID 83867014) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
PubChem CID83867014
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)CC1Cc2cc(Br)ccc2N1
InChIInChI=1S/C12H17BrN2/c1-8(7-14)4-11-6-9-5-10(13)2-3-12(9)15-11/h2-3,5,8,11,15H,4,6-7,14H2,1H3
InChIKeySEWZSMHIGGJFRV-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 101024891
CID 101024891
[(2S)-5-bromo-2,3-dihydro-1H-indol-2-yl]methanol
CID 131181494
1-(5-methyl-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117200787
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-[2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethyl]propan-2-amine
CID 67530768
5-bromo-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83488810
5-bromo-2-methoxy-2,3-dihydro-1H-indole
CID 160760418
(5-methyl-2,3-dihydro-1H-indol-2-yl)methanamine
CID 83860472
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylpropan-2-amine
CID 117201101
2-(6-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylethanamine
CID 84641162
2-(7-bromo-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanamine
CID 84641786
(6-bromo-2,3-dihydro-1H-indol-2-yl)methanol
CID 83918189

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine (CID 83867014) is 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine is CC(CN)CC1Cc2cc(Br)ccc2N1.
What is the InChIKey of 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine?
The InChIKey is SEWZSMHIGGJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8(7-14)4-11-6-9-5-10(13)2-3-12(9)15-11/h2-3,5,8,11,15H,4,6-7,14H2,1H3.
What are the key properties of 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine?
3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83867014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).