N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine

C17H23BrN2S — CID 28879716

IUPACN-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccccc1CNCc1cc(Br)cs1
InChIInChI=1S/C17H23BrN2S/c1-3-20(4-2)12-15-8-6-5-7-14(15)10-19-11-17-9-16(18)13-21-17/h5-9,13,19H,3-4,10-12H2,1-2H3
InChIKeyZOERRLKGRIRUNO-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.64
Rot. Bonds8

About N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine

N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine (PubChem CID 28879716) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
PubChem CID28879716
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC NameN-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccccc1CNCc1cc(Br)cs1
InChIInChI=1S/C17H23BrN2S/c1-3-20(4-2)12-15-8-6-5-7-14(15)10-19-11-17-9-16(18)13-21-17/h5-9,13,19H,3-4,10-12H2,1-2H3
InChIKeyZOERRLKGRIRUNO-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
N-[[2-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697087
1-(4-bromothiophen-2-yl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81327681
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,2-dimethylpropan-1-amine
CID 61324923
4-[[(4-bromothiophen-2-yl)methylamino]methyl]benzene-1,3-diol
CID 63378742
N-ethyl-N-[[2-[[(5-iodofuran-2-yl)methylamino]methyl]phenyl]methyl]ethanamine
CID 43768406
N-[(4-bromothiophen-2-yl)methyl]-1-(2-prop-2-ynoxyphenyl)methanamine
CID 60957191
N-[1-(4-bromothiophen-2-yl)ethyl]-2-(diethylaminomethyl)aniline
CID 107354158
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
N-[(4-bromothiophen-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 60664778

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine (CID 28879716) is N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccccc1CNCc1cc(Br)cs1.
What is the InChIKey of N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
The InChIKey is ZOERRLKGRIRUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-3-20(4-2)12-15-8-6-5-7-14(15)10-19-11-17-9-16(18)13-21-17/h5-9,13,19H,3-4,10-12H2,1-2H3.
What are the key properties of N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine?
N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine has a molecular weight of 367.36 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(4-bromothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 28879716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).