1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine

C11H17BrN2OS — CID 116956778

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine
SMILESCNC(CC1COCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-13-9(10-2-3-11(12)16-10)6-8-7-15-5-4-14-8/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyOIQOVIAOWMKLRW-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.15
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine

1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine (PubChem CID 116956778) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine
PubChem CID116956778
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine
SMILESCNC(CC1COCCN1)c1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-13-9(10-2-3-11(12)16-10)6-8-7-15-5-4-14-8/h2-3,8-9,13-14H,4-7H2,1H3
InChIKeyOIQOVIAOWMKLRW-UHFFFAOYSA-N
XLogP2.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
5-bromo-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238840
N-methyl-1-morpholin-3-ylbutan-2-amine
CID 116956752
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-morpholin-3-ylacetamide
CID 115178142
2-morpholin-3-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116941456
1-(4-bromophenyl)-2-morpholin-3-ylethanol
CID 81466682
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
1-(5-bromothiophen-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 61104364
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
5-bromo-2-iodo-N-(1-morpholin-3-ylpropan-2-yl)aniline
CID 114259216
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine (CID 116956778) is 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine is CNC(CC1COCCN1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine?
The InChIKey is OIQOVIAOWMKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-13-9(10-2-3-11(12)16-10)6-8-7-15-5-4-14-8/h2-3,8-9,13-14H,4-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine?
1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine has a molecular weight of 305.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-2-morpholin-3-ylethanamine is sourced from PubChem (CID 116956778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).