1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

C12H19BrN2OS — CID 79082017

IUPAC1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-9(12-11(13)3-6-17-12)14-7-10-8-15(2)4-5-16-10/h3,6,9-10,14H,4-5,7-8H2,1-2H3
InChIKeyDYOJYDGKORISOB-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.49
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 79082017) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID79082017
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESCC(NCC1CN(C)CCO1)c1sccc1Br
InChIInChI=1S/C12H19BrN2OS/c1-9(12-11(13)3-6-17-12)14-7-10-8-15(2)4-5-16-10/h3,6,9-10,14H,4-5,7-8H2,1-2H3
InChIKeyDYOJYDGKORISOB-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (CID 79082017) is 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is CC(NCC1CN(C)CCO1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is DYOJYDGKORISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-9(12-11(13)3-6-17-12)14-7-10-8-15(2)4-5-16-10/h3,6,9-10,14H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 319.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 79082017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).