2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

C16H15BrClFN2 — CID 107610278

IUPAC2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3c(Cl)cc(F)cc3Br)ccc21
InChIInChI=1S/C16H15BrClFN2/c1-21-5-4-11-6-10(2-3-15(11)21)9-20-16-13(17)7-12(19)8-14(16)18/h2-3,6-8,20H,4-5,9H2,1H3
InChIKeyBJQSLSRRQHYKIH-UHFFFAOYSA-N
MW369.67 g/mol
LogP4.85
Rot. Bonds3

About 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline

2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 107610278) has the molecular formula C16H15BrClFN2 and a molecular weight of 369.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID107610278
Molecular FormulaC16H15BrClFN2
Molecular Weight369.67 g/mol
Exact Mass368.01
IUPAC Name2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCN1CCc2cc(CNc3c(Cl)cc(F)cc3Br)ccc21
InChIInChI=1S/C16H15BrClFN2/c1-21-5-4-11-6-10(2-3-15(11)21)9-20-16-13(17)7-12(19)8-14(16)18/h2-3,6-8,20H,4-5,9H2,1H3
InChIKeyBJQSLSRRQHYKIH-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107629922
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
2-bromo-6-chloro-4-fluoro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 107610291
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
6-chloro-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyridin-3-amine
CID 107266378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 107610278) is 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is CN1CCc2cc(CNc3c(Cl)cc(F)cc3Br)ccc21.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is BJQSLSRRQHYKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFN2/c1-21-5-4-11-6-10(2-3-15(11)21)9-20-16-13(17)7-12(19)8-14(16)18/h2-3,6-8,20H,4-5,9H2,1H3.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 369.67 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 107610278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).