1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

C13H21BrN2OS — CID 79675911

IUPAC1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cscc2Br)C1
InChIInChI=1S/C13H21BrN2OS/c1-3-4-16-5-6-17-12(7-16)13(15-2)10-8-18-9-11(10)14/h8-9,12-13,15H,3-7H2,1-2H3
InChIKeyCGGSQJBNGXBWBI-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine

1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (PubChem CID 79675911) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
PubChem CID79675911
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
SMILESCCCN1CCOC(C(NC)c2cscc2Br)C1
InChIInChI=1S/C13H21BrN2OS/c1-3-4-16-5-6-17-12(7-16)13(15-2)10-8-18-9-11(10)14/h8-9,12-13,15H,3-7H2,1-2H3
InChIKeyCGGSQJBNGXBWBI-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-3-yl)-(4-propylmorpholin-2-yl)methyl]propan-1-amine
CID 79676101
1-(3-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 106645880
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79739511
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 114657829
1-(2-ethoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79663982
[(4-bromothiophen-3-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244304
N-methyl-1-(4-methylphenyl)-1-(4-propylmorpholin-2-yl)methanamine
CID 79657622
[(3-bromothiophen-2-yl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 105247967
1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 79963935
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
1-(3-chlorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658091
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658332

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine (CID 79675911) is 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is CCCN1CCOC(C(NC)c2cscc2Br)C1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
The InChIKey is CGGSQJBNGXBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-3-4-16-5-6-17-12(7-16)13(15-2)10-8-18-9-11(10)14/h8-9,12-13,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine?
1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine has a molecular weight of 333.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine is sourced from PubChem (CID 79675911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).