N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine

C11H19NOS — CID 80728560

IUPACN-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC)c(C)s1
InChIInChI=1S/C11H19NOS/c1-4-12-7-11-6-10(8-13-5-2)9(3)14-11/h6,12H,4-5,7-8H2,1-3H3
InChIKeySJQKPCMEKICPOF-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.70
Rot. Bonds6

About N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine

N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 80728560) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
PubChem CID80728560
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COCC)c(C)s1
InChIInChI=1S/C11H19NOS/c1-4-12-7-11-6-10(8-13-5-2)9(3)14-11/h6,12H,4-5,7-8H2,1-3H3
InChIKeySJQKPCMEKICPOF-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-4-(2-propoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80734057
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80728940
3-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80729188
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
N-[[5-methyl-4-(3-pyridin-4-ylpropoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 80720966
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
N-[[5-methyl-4-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80729235
N-[[4-(2,2-difluoroethoxymethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 82006891
N-[[5-methyl-4-(3,3,3-trifluoropropoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 82957315
N-[[5-methyl-4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 80727922
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[5-methyl-4-[(2-prop-2-enylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80721945

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine (CID 80728560) is N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine is CCNCc1cc(COCC)c(C)s1.
What is the InChIKey of N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is SJQKPCMEKICPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-12-7-11-6-10(8-13-5-2)9(3)14-11/h6,12H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine?
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 213.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80728560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).