1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine

C10H16ClNOS — CID 107359701

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-12-9(4-6-13-2)10-8(11)5-7-14-10/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyPGFFSVPUWGKVIG-UHFFFAOYSA-N
MW233.76 g/mol
LogP3.09
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine

1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 107359701) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
PubChem CID107359701
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNC(CCOC)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-12-9(4-6-13-2)10-8(11)5-7-14-10/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyPGFFSVPUWGKVIG-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 107359682
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 107360376
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine (CID 107359701) is 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine is CCNC(CCOC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is PGFFSVPUWGKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-12-9(4-6-13-2)10-8(11)5-7-14-10/h5,7,9,12H,3-4,6H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine?
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 233.76 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 107359701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).