1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine

C17H22ClNOS — CID 103405432

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1scc(C)c1Cl
InChIInChI=1S/C17H22ClNOS/c1-5-19-14(17-16(18)12(3)10-21-17)9-13-8-11(2)6-7-15(13)20-4/h6-8,10,14,19H,5,9H2,1-4H3
InChIKeyQMBRDHPZWAQXDT-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.92
Rot. Bonds6

About 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 103405432) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID103405432
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(Cc1cc(C)ccc1OC)c1scc(C)c1Cl
InChIInChI=1S/C17H22ClNOS/c1-5-19-14(17-16(18)12(3)10-21-17)9-13-8-11(2)6-7-15(13)20-4/h6-8,10,14,19H,5,9H2,1-4H3
InChIKeyQMBRDHPZWAQXDT-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405686
N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105137382
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115826658
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826666
(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanol
CID 103404367
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine (CID 103405432) is 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is CCNC(Cc1cc(C)ccc1OC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is QMBRDHPZWAQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-5-19-14(17-16(18)12(3)10-21-17)9-13-8-11(2)6-7-15(13)20-4/h6-8,10,14,19H,5,9H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 323.89 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 103405432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).