2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

C16H17BrN2 — CID 55034920

IUPAC2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccccc3Br)ccc21
InChIInChI=1S/C16H17BrN2/c1-19-9-8-13-10-12(6-7-16(13)19)11-18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9,11H2,1H3
InChIKeySDVHWPVMRCZYTL-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.05
Rot. Bonds3

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

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 55034920) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID55034920
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3ccccc3Br)ccc21
InChIInChI=1S/C16H17BrN2/c1-19-9-8-13-10-12(6-7-16(13)19)11-18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9,11H2,1H3
InChIKeySDVHWPVMRCZYTL-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094936
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
CID 62096876
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-nitroaniline
CID 62096511
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378
2-methoxy-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096342
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
(1R)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-phenylethanamine
CID 81350665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 55034920) is 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is CN1CCc2cc(CNc3ccccc3Br)ccc21.
What is the InChIKey of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is SDVHWPVMRCZYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-19-9-8-13-10-12(6-7-16(13)19)11-18-15-5-3-2-4-14(15)17/h2-7,10,18H,8-9,11H2,1H3.
What are the key properties of 2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 317.23 g/mol, XLogP of 4.05, 3 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]aniline is sourced from PubChem (CID 55034920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).