1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine

C15H25ClN2OS — CID 107359880

IUPAC1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine
SMILESCCCNC(c1sccc1Cl)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H25ClN2OS/c1-4-6-17-14(13-12(16)5-11-20-13)15(2,3)18-7-9-19-10-8-18/h5,11,14,17H,4,6-10H2,1-3H3
InChIKeyOMMQEVYGSLJBHC-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine

1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine (PubChem CID 107359880) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine
PubChem CID107359880
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine
SMILESCCCNC(c1sccc1Cl)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H25ClN2OS/c1-4-6-17-14(13-12(16)5-11-20-13)15(2,3)18-7-9-19-10-8-18/h5,11,14,17H,4,6-10H2,1-3H3
InChIKeyOMMQEVYGSLJBHC-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropyl]hydrazine
CID 105240145
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
1-(3-chlorothiophen-2-yl)-2-N,2-N,2-triethyl-1-N-propylbutane-1,2-diamine
CID 107359906
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
1-(3,4-dichlorophenyl)-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79051461
N-[1-(3-chlorothiophen-2-yl)-2,2-difluoroethyl]propan-1-amine
CID 107361897
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
1-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-N-propyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656648
N-[(3-chlorothiophen-2-yl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107978081
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine (CID 107359880) is 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine is CCCNC(c1sccc1Cl)C(C)(C)N1CCOCC1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine?
The InChIKey is OMMQEVYGSLJBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2OS/c1-4-6-17-14(13-12(16)5-11-20-13)15(2,3)18-7-9-19-10-8-18/h5,11,14,17H,4,6-10H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine?
1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine has a molecular weight of 316.90 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-methyl-2-morpholin-4-yl-N-propylpropan-1-amine is sourced from PubChem (CID 107359880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).