1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine

C16H17BrN2S — CID 102917612

IUPAC1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
SMILESCC(N)Cc1ccc2c(ccn2Cc2cc(Br)cs2)c1
InChIInChI=1S/C16H17BrN2S/c1-11(18)6-12-2-3-16-13(7-12)4-5-19(16)9-15-8-14(17)10-20-15/h2-5,7-8,10-11H,6,9,18H2,1H3
InChIKeyYXDAKAGQXBPZPW-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.40
Rot. Bonds4

About 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine

1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine (PubChem CID 102917612) has the molecular formula C16H17BrN2S and a molecular weight of 349.30 g/mol. Its IUPAC name is 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
PubChem CID102917612
Molecular FormulaC16H17BrN2S
Molecular Weight349.30 g/mol
Exact Mass348.03
IUPAC Name1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
SMILESCC(N)Cc1ccc2c(ccn2Cc2cc(Br)cs2)c1
InChIInChI=1S/C16H17BrN2S/c1-11(18)6-12-2-3-16-13(7-12)4-5-19(16)9-15-8-14(17)10-20-15/h2-5,7-8,10-11H,6,9,18H2,1H3
InChIKeyYXDAKAGQXBPZPW-UHFFFAOYSA-N
XLogP4.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
1-(1-cyclohexylindol-5-yl)propan-2-amine
CID 117118608
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
[1-[(4-methyl-1,3-thiazol-2-yl)methyl]indol-5-yl]methanol
CID 102912636
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine (CID 102917612) is 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine is CC(N)Cc1ccc2c(ccn2Cc2cc(Br)cs2)c1.
What is the InChIKey of 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine?
The InChIKey is YXDAKAGQXBPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2S/c1-11(18)6-12-2-3-16-13(7-12)4-5-19(16)9-15-8-14(17)10-20-15/h2-5,7-8,10-11H,6,9,18H2,1H3.
What are the key properties of 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine?
1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine has a molecular weight of 349.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine is sourced from PubChem (CID 102917612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).