N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine

C14H13BrN2S — CID 43768700

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1sccc1Br
InChIInChI=1S/C14H13BrN2S/c1-9(14-12(15)5-7-18-14)17-11-2-3-13-10(8-11)4-6-16-13/h2-9,16-17H,1H3
InChIKeyHXJDAKODCMLZHO-UHFFFAOYSA-N
MW321.24 g/mol
LogP5.16
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine (PubChem CID 43768700) has the molecular formula C14H13BrN2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine
PubChem CID43768700
Molecular FormulaC14H13BrN2S
Molecular Weight321.24 g/mol
Exact Mass320.00
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)c1sccc1Br
InChIInChI=1S/C14H13BrN2S/c1-9(14-12(15)5-7-18-14)17-11-2-3-13-10(8-11)4-6-16-13/h2-9,16-17H,1H3
InChIKeyHXJDAKODCMLZHO-UHFFFAOYSA-N
XLogP5.16
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.24
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-(1-thiophen-3-ylethyl)-1H-indol-5-amine
CID 62089795
N-[1-(3-bromothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 43757455
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
N-(2-methyl-1-thiophen-2-ylpropyl)-1H-indol-5-amine
CID 43768653
3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
CID 43771069
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216
4-N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191782
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
CID 43093889

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine (CID 43768700) is N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine is CC(Nc1ccc2[nH]ccc2c1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine?
The InChIKey is HXJDAKODCMLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2S/c1-9(14-12(15)5-7-18-14)17-11-2-3-13-10(8-11)4-6-16-13/h2-9,16-17H,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine has a molecular weight of 321.24 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 43768700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).