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

C16H17BrN2 — CID 107274667

IUPAC[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESCC1Cc2ccccc2N1c1ccc(CN)c(Br)c1
InChIInChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8,10,18H2,1H3
InChIKeySCAXMXFDJOTPHG-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.99
Rot. Bonds2

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

[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine (PubChem CID 107274667) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
PubChem CID107274667
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
SMILESCC1Cc2ccccc2N1c1ccc(CN)c(Br)c1
InChIInChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8,10,18H2,1H3
InChIKeySCAXMXFDJOTPHG-UHFFFAOYSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(chloromethyl)-3-methylphenyl]-2-methyl-2,3-dihydroindole
CID 63540213
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
2-[4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784913
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
2-amino-4-(2-methyl-2,3-dihydroindol-1-yl)benzoic acid
CID 104500136
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
1-[2-hydroxy-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanone
CID 79600921
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133
[5-fluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 63288980
[5-bromo-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 114889438

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine (CID 107274667) is [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine is CC1Cc2ccccc2N1c1ccc(CN)c(Br)c1.
What is the InChIKey of [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
The InChIKey is SCAXMXFDJOTPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-11-8-12-4-2-3-5-16(12)19(11)14-7-6-13(10-18)15(17)9-14/h2-7,9,11H,8,10,18H2,1H3.
What are the key properties of [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine?
[2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine is sourced from PubChem (CID 107274667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).