N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine

C12H20ClNOS — CID 103406671

IUPACN-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1scc(C)c1Cl
InChIInChI=1S/C12H20ClNOS/c1-4-6-14-10(7-15-5-2)12-11(13)9(3)8-16-12/h8,10,14H,4-7H2,1-3H3
InChIKeyTWJJATBSARQXJR-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.79
Rot. Bonds7

About N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine

N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine (PubChem CID 103406671) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
PubChem CID103406671
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC NameN-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(COCC)c1scc(C)c1Cl
InChIInChI=1S/C12H20ClNOS/c1-4-6-14-10(7-15-5-2)12-11(13)9(3)8-16-12/h8,10,14H,4-7H2,1-3H3
InChIKeyTWJJATBSARQXJR-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 103407156
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103402410
1-(3-chloro-4-methylthiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 103406873
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
1-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 103405798
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 103400889
N-[1-(3-chloro-5-methylphenyl)-2-ethoxyethyl]propan-1-amine
CID 105007905
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 103406324
1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine (CID 103406671) is N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine is CCCNC(COCC)c1scc(C)c1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is TWJJATBSARQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-4-6-14-10(7-15-5-2)12-11(13)9(3)8-16-12/h8,10,14H,4-7H2,1-3H3.
What are the key properties of N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine?
N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 261.82 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 103406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).