1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine

C18H21BrN2 — CID 102769052

IUPAC1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN2c3ccccc3CC2C)c(Br)c1
InChIInChI=1S/C18H21BrN2/c1-13-9-15-5-3-4-6-18(15)21(13)12-16-8-7-14(11-20-2)10-17(16)19/h3-8,10,13,20H,9,11-12H2,1-2H3
InChIKeyFLXXLRYWWAVDFQ-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.12
Rot. Bonds4

About 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 102769052) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID102769052
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(CN2c3ccccc3CC2C)c(Br)c1
InChIInChI=1S/C18H21BrN2/c1-13-9-15-5-3-4-6-18(15)21(13)12-16-8-7-14(11-20-2)10-17(16)19/h3-8,10,13,20H,9,11-12H2,1-2H3
InChIKeyFLXXLRYWWAVDFQ-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
3-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]aniline
CID 64769040
1-[3-bromo-4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771028
1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
2-methyl-1-[(2-phenylphenyl)methyl]-2,3-dihydroindole
CID 70112663
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
N-[[2-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62423861
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine (CID 102769052) is 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine is CNCc1ccc(CN2c3ccccc3CC2C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is FLXXLRYWWAVDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-13-9-15-5-3-4-6-18(15)21(13)12-16-8-7-14(11-20-2)10-17(16)19/h3-8,10,13,20H,9,11-12H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 345.28 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 102769052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).