1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C17H19BrN2O — CID 83209891

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCOc1ccc(CN2CCc3cc(C)c(N)cc32)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-7-13-5-6-20(16(13)9-15(11)19)10-12-3-4-17(21-2)14(18)8-12/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyUDTKYTALAQTWSU-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.91
Rot. Bonds3

About 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83209891) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83209891
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCOc1ccc(CN2CCc3cc(C)c(N)cc32)cc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-7-13-5-6-20(16(13)9-15(11)19)10-12-3-4-17(21-2)14(18)8-12/h3-4,7-9H,5-6,10,19H2,1-2H3
InChIKeyUDTKYTALAQTWSU-UHFFFAOYSA-N
XLogP3.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213115
1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213196
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212288
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dihydro-2H-pyrrol-4-ylium-5-one
CID 123586033
5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83213449
1-[(3-bromo-4-methoxyphenyl)methyl]-5,5-dimethylazepan-2-one
CID 65284291
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212458
4-[(3-bromo-4-methoxyphenyl)methyl]thiomorpholine
CID 6456105
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
1-[(2-chloro-3-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 115983059
5-methyl-1-(2-phenoxyethyl)-2,3-dihydroindol-6-amine
CID 83212872

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83209891) is 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is COc1ccc(CN2CCc3cc(C)c(N)cc32)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is UDTKYTALAQTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-7-13-5-6-20(16(13)9-15(11)19)10-12-3-4-17(21-2)14(18)8-12/h3-4,7-9H,5-6,10,19H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 347.26 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83209891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).