2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine

C14H23ClN2OS — CID 79657785

IUPAC2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2ccc(Cl)s2)NC)C1
InChIInChI=1S/C14H23ClN2OS/c1-3-6-17-7-8-18-13(10-17)12(16-2)9-11-4-5-14(15)19-11/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeyAGQMLGOIYVKYSQ-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.64
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine (PubChem CID 79657785) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
PubChem CID79657785
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
SMILESCCCN1CCOC(C(Cc2ccc(Cl)s2)NC)C1
InChIInChI=1S/C14H23ClN2OS/c1-3-6-17-7-8-18-13(10-17)12(16-2)9-11-4-5-14(15)19-11/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeyAGQMLGOIYVKYSQ-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664444
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
N-methyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657546
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79664229
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657714
[2-(5-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]hydrazine
CID 105247768
2-(2,6-difluorophenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 114932414
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 105374147
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-cyclopropyl-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658247
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657789

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine (CID 79657785) is 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine is CCCN1CCOC(C(Cc2ccc(Cl)s2)NC)C1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
The InChIKey is AGQMLGOIYVKYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-3-6-17-7-8-18-13(10-17)12(16-2)9-11-4-5-14(15)19-11/h4-5,12-13,16H,3,6-10H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine has a molecular weight of 302.87 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79657785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).