N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine

C13H21BrN2OS — CID 115239287

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCN(CCc1cc(Br)cs1)CCC1CNCCO1
InChIInChI=1S/C13H21BrN2OS/c1-16(5-2-12-9-15-4-7-17-12)6-3-13-8-11(14)10-18-13/h8,10,12,15H,2-7,9H2,1H3
InChIKeyIVUZOXIORBMVAY-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine

N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine (PubChem CID 115239287) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
PubChem CID115239287
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCN(CCc1cc(Br)cs1)CCC1CNCCO1
InChIInChI=1S/C13H21BrN2OS/c1-16(5-2-12-9-15-4-7-17-12)6-3-13-8-11(14)10-18-13/h8,10,12,15H,2-7,9H2,1H3
InChIKeyIVUZOXIORBMVAY-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239238
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210042
2-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 115238495
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
2-cyclobutyl-N-methyl-N-(2-morpholin-2-ylethyl)ethanamine
CID 115239302
4-[[2-(4-bromothiophen-2-yl)ethyl-methylamino]methyl]cyclohexan-1-ol
CID 115239944
2-(4-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209426
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
1-N-[2-(4-bromothiophen-2-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136279

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine (CID 115239287) is N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine is CN(CCc1cc(Br)cs1)CCC1CNCCO1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine?
The InChIKey is IVUZOXIORBMVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-16(5-2-12-9-15-4-7-17-12)6-3-13-8-11(14)10-18-13/h8,10,12,15H,2-7,9H2,1H3.
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine?
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine has a molecular weight of 333.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine is sourced from PubChem (CID 115239287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).