N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline

C17H23BrN2S — CID 107354158

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)c1cc(Br)cs1
InChIInChI=1S/C17H23BrN2S/c1-4-20(5-2)11-14-8-6-7-9-16(14)19-13(3)17-10-15(18)12-21-17/h6-10,12-13,19H,4-5,11H2,1-3H3
InChIKeyGVDPRFUZKVVFLI-UHFFFAOYSA-N
MW367.36 g/mol
LogP5.53
Rot. Bonds7

About N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline

N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline (PubChem CID 107354158) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
PubChem CID107354158
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
SMILESCCN(CC)Cc1ccccc1NC(C)c1cc(Br)cs1
InChIInChI=1S/C17H23BrN2S/c1-4-20(5-2)11-14-8-6-7-9-16(14)19-13(3)17-10-15(18)12-21-17/h6-10,12-13,19H,4-5,11H2,1-3H3
InChIKeyGVDPRFUZKVVFLI-UHFFFAOYSA-N
XLogP5.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.36
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-[(dimethylamino)methyl]aniline
CID 107167652
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
2-(diethylaminomethyl)-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 115928997
N-[2-[1-(4-bromothiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 107354221
2-(diethylaminomethyl)-N-(2-methylpropyl)aniline
CID 43729309
2-(diethylaminomethyl)-N-hexan-2-ylaniline
CID 43787790
N-[1-(4-bromothiophen-2-yl)ethyl]-2-chloropyridin-3-amine
CID 107354051
N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 28879716
2-(diethylaminomethyl)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629331
1-(4-bromothiophen-2-yl)-N-[2-(2-fluorophenyl)ethyl]ethanamine
CID 107353847

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline (CID 107354158) is N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline is CCN(CC)Cc1ccccc1NC(C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline?
The InChIKey is GVDPRFUZKVVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-4-20(5-2)11-14-8-6-7-9-16(14)19-13(3)17-10-15(18)12-21-17/h6-10,12-13,19H,4-5,11H2,1-3H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline has a molecular weight of 367.36 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline is sourced from PubChem (CID 107354158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).