N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

C14H23ClN2OS — CID 79093466

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CN(C)CCO1
InChIInChI=1S/C14H23ClN2OS/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-17(2)7-8-18-13/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeyBQWDFUCPSXXNAF-UHFFFAOYSA-N
MW302.87 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine

N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 79093466) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID79093466
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CN(C)CCO1
InChIInChI=1S/C14H23ClN2OS/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-17(2)7-8-18-13/h4-5,12-13,16H,3,6-10H2,1-2H3
InChIKeyBQWDFUCPSXXNAF-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
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
N-[2-(2-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 115983887
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657785
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[1-(4-methylmorpholin-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752801
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 115998333
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665219
1-(4-methylmorpholin-2-yl)-N-propylbut-3-yn-1-amine
CID 79093470
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine (CID 79093466) is N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)C1CN(C)CCO1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is BQWDFUCPSXXNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-3-6-16-12(9-11-4-5-14(15)19-11)13-10-17(2)7-8-18-13/h4-5,12-13,16H,3,6-10H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine 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 N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79093466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).