N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine

C14H18ClNO2S — CID 103401425

IUPACN-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(COC)o1)c1scc(C)c1Cl
InChIInChI=1S/C14H18ClNO2S/c1-4-16-13(14-12(15)9(2)8-19-14)11-6-5-10(18-11)7-17-3/h5-6,8,13,16H,4,7H2,1-3H3
InChIKeyNRAIJUOLUOQBMD-UHFFFAOYSA-N
MW299.82 g/mol
LogP4.15
Rot. Bonds6

About N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine

N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 103401425) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID103401425
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNC(c1ccc(COC)o1)c1scc(C)c1Cl
InChIInChI=1S/C14H18ClNO2S/c1-4-16-13(14-12(15)9(2)8-19-14)11-6-5-10(18-11)7-17-3/h5-6,8,13,16H,4,7H2,1-3H3
InChIKeyNRAIJUOLUOQBMD-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 103401002
N-[1-benzofuran-2-yl-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103407408
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
N-[(3-chloro-4-methylthiophen-2-yl)-(4-propylphenyl)methyl]ethanamine
CID 103400826
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411
N-[(3-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 103405840
N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103405896
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 103405432
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-dibromo-4-methylphenyl)methyl]ethanamine
CID 103401324

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine (CID 103401425) is N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine is CCNC(c1ccc(COC)o1)c1scc(C)c1Cl.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is NRAIJUOLUOQBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c1-4-16-13(14-12(15)9(2)8-19-14)11-6-5-10(18-11)7-17-3/h5-6,8,13,16H,4,7H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine?
N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 299.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)-[5-(methoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 103401425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).