1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C14H15BrN2S — CID 83212288

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1sccc1Br)CC2
InChIInChI=1S/C14H15BrN2S/c1-9-6-10-2-4-17(13(10)7-12(9)16)8-14-11(15)3-5-18-14/h3,5-7H,2,4,8,16H2,1H3
InChIKeyCCBTXICSHKQZPN-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.96
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83212288) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83212288
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1sccc1Br)CC2
InChIInChI=1S/C14H15BrN2S/c1-9-6-10-2-4-17(13(10)7-12(9)16)8-14-11(15)3-5-18-14/h3,5-7H,2,4,8,16H2,1H3
InChIKeyCCBTXICSHKQZPN-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.96
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-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212879
1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213115
1-(1-benzothiophen-3-ylmethyl)-5-methyl-2,3-dihydroindol-6-amine
CID 83211596
1-[(3-bromo-4-methoxyphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209891
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83209888
1-[(3,4-dichlorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213196
1-[(2-chloro-4-methylphenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 106864235
5-methyl-1-(2-thiophen-3-ylethyl)-2,3-dihydroindol-6-amine
CID 83213120
5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83213449
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
1-[(2-chloro-3-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 115983059

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83212288) is 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1sccc1Br)CC2.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is CCBTXICSHKQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2S/c1-9-6-10-2-4-17(13(10)7-12(9)16)8-14-11(15)3-5-18-14/h3,5-7H,2,4,8,16H2,1H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 323.26 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).