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

C17H19BrN2 — CID 107629922

IUPAC3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCc1c(Br)cccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H19BrN2/c1-12-15(18)4-3-5-16(12)19-11-13-6-7-17-14(10-13)8-9-20(17)2/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeyXYDLQIXVJBFLEX-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.36
Rot. Bonds3

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

3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (PubChem CID 107629922) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
PubChem CID107629922
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
SMILESCc1c(Br)cccc1NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H19BrN2/c1-12-15(18)4-3-5-16(12)19-11-13-6-7-17-14(10-13)8-9-20(17)2/h3-7,10,19H,8-9,11H2,1-2H3
InChIKeyXYDLQIXVJBFLEX-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 55034920
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
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
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-6-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 107610278
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The IUPAC name of 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline (CID 107629922) is 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The canonical SMILES for 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is Cc1c(Br)cccc1NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
The InChIKey is XYDLQIXVJBFLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-15(18)4-3-5-16(12)19-11-13-6-7-17-14(10-13)8-9-20(17)2/h3-7,10,19H,8-9,11H2,1-2H3.
What are the key properties of 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline?
3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline has a molecular weight of 331.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline is sourced from PubChem (CID 107629922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).