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

C16H27ClN2OS — CID 79664444

IUPACN-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CN(CCC)CCO1
InChIInChI=1S/C16H27ClN2OS/c1-3-7-18-14(11-13-5-6-16(17)21-13)15-12-19(8-4-2)9-10-20-15/h5-6,14-15,18H,3-4,7-12H2,1-2H3
InChIKeyBPRCOCLEWXUFHU-UHFFFAOYSA-N
MW330.93 g/mol
LogP3.42
Rot. Bonds8

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

N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (PubChem CID 79664444) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
PubChem CID79664444
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C1CN(CCC)CCO1
InChIInChI=1S/C16H27ClN2OS/c1-3-7-18-14(11-13-5-6-16(17)21-13)15-12-19(8-4-2)9-10-20-15/h5-6,14-15,18H,3-4,7-12H2,1-2H3
InChIKeyBPRCOCLEWXUFHU-UHFFFAOYSA-N
XLogP3.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657785
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79664229
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-propylmorpholin-2-yl)ethanamine
CID 79657714
N-[1-(4-propylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79824727
[2-(5-bromothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]hydrazine
CID 105247768
N-[2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 79664430
N-propyl-1-(4-propylmorpholin-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 79664239
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
N-ethyl-1-(4-propylmorpholin-2-yl)-2-thiophen-2-ylethanamine
CID 79657789
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[2-(5-chlorothiophen-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 115998333

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine (CID 79664444) is N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)s1)C1CN(CCC)CCO1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
The InChIKey is BPRCOCLEWXUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2OS/c1-3-7-18-14(11-13-5-6-16(17)21-13)15-12-19(8-4-2)9-10-20-15/h5-6,14-15,18H,3-4,7-12H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine?
N-[2-(5-chlorothiophen-2-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine has a molecular weight of 330.93 g/mol, XLogP of 3.42, 8 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-propylmorpholin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79664444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).