2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine

C13H17BrN2 — CID 115756694

IUPAC2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H17BrN2/c1-10(14)8-15-9-11-3-4-13-12(7-11)5-6-16(13)2/h3-4,7,15H,1,5-6,8-9H2,2H3
InChIKeyYQKTVLMVQBRCHU-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.68
Rot. Bonds4

About 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine (PubChem CID 115756694) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
PubChem CID115756694
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H17BrN2/c1-10(14)8-15-9-11-3-4-13-12(7-11)5-6-16(13)2/h3-4,7,15H,1,5-6,8-9H2,2H3
InChIKeyYQKTVLMVQBRCHU-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
CID 81462941
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
2-methyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 65031805
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
2-but-3-enoxy-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 103854347
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine (CID 115756694) is 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1ccc2c(c1)CCN2C.
What is the InChIKey of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is YQKTVLMVQBRCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-10(14)8-15-9-11-3-4-13-12(7-11)5-6-16(13)2/h3-4,7,15H,1,5-6,8-9H2,2H3.
What are the key properties of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 281.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115756694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).