1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine

C12H20ClNS — CID 115841703

IUPAC1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccc(Cl)s1)NC
InChIInChI=1S/C12H20ClNS/c1-4-9(5-2)11(14-3)8-10-6-7-12(13)15-10/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyVVVMNMLIARBUFW-UHFFFAOYSA-N
MW245.82 g/mol
LogP3.97
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine

1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine (PubChem CID 115841703) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
PubChem CID115841703
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
SMILESCCC(CC)C(Cc1ccc(Cl)s1)NC
InChIInChI=1S/C12H20ClNS/c1-4-9(5-2)11(14-3)8-10-6-7-12(13)15-10/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyVVVMNMLIARBUFW-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(2-methylsulfanylbutyl)thiophene
CID 54222118
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
1-(5-chlorothiophen-2-yl)-N-methyl-3-propoxypropan-2-amine
CID 62604517
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
CID 83934918
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
1-(5-bromofuran-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 115841556
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine (CID 115841703) is 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine is CCC(CC)C(Cc1ccc(Cl)s1)NC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine?
The InChIKey is VVVMNMLIARBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-4-9(5-2)11(14-3)8-10-6-7-12(13)15-10/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine has a molecular weight of 245.82 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 115841703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).