(7-bromo-1,2-dimethylindol-3-yl)methanamine

C11H13BrN2 — CID 82499510

IUPAC(7-bromo-1,2-dimethylindol-3-yl)methanamine
SMILESCc1c(CN)c2cccc(Br)c2n1C
InChIInChI=1S/C11H13BrN2/c1-7-9(6-13)8-4-3-5-10(12)11(8)14(7)2/h3-5H,6,13H2,1-2H3
InChIKeyCULOFTMOMCLKFA-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.71
Rot. Bonds1

About (7-bromo-1,2-dimethylindol-3-yl)methanamine

(7-bromo-1,2-dimethylindol-3-yl)methanamine (PubChem CID 82499510) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is (7-bromo-1,2-dimethylindol-3-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1,2-dimethylindol-3-yl)methanamine
PubChem CID82499510
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name(7-bromo-1,2-dimethylindol-3-yl)methanamine
SMILESCc1c(CN)c2cccc(Br)c2n1C
InChIInChI=1S/C11H13BrN2/c1-7-9(6-13)8-4-3-5-10(12)11(8)14(7)2/h3-5H,6,13H2,1-2H3
InChIKeyCULOFTMOMCLKFA-UHFFFAOYSA-N
XLogP2.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(7-bromo-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82502304
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
CID 165474870
8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82251615
2-(7-bromo-3-methylindazol-2-yl)ethanamine
CID 84729164
8-bromo-9-methylpyrido[3,4-b]indole
CID 123878927
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608
1-bromonaphthalene;methanamine
CID 143041720
3-bromo-7-fluoro-1,2-dimethylindole
CID 82279918
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,2-dimethylindol-3-yl)methanamine?
The IUPAC name of (7-bromo-1,2-dimethylindol-3-yl)methanamine (CID 82499510) is (7-bromo-1,2-dimethylindol-3-yl)methanamine.
What is the SMILES notation for (7-bromo-1,2-dimethylindol-3-yl)methanamine?
The canonical SMILES for (7-bromo-1,2-dimethylindol-3-yl)methanamine is Cc1c(CN)c2cccc(Br)c2n1C.
What is the InChIKey of (7-bromo-1,2-dimethylindol-3-yl)methanamine?
The InChIKey is CULOFTMOMCLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7-9(6-13)8-4-3-5-10(12)11(8)14(7)2/h3-5H,6,13H2,1-2H3.
What are the key properties of (7-bromo-1,2-dimethylindol-3-yl)methanamine?
(7-bromo-1,2-dimethylindol-3-yl)methanamine has a molecular weight of 253.14 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,2-dimethylindol-3-yl)methanamine is sourced from PubChem (CID 82499510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).