N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine

C12H19NOS — CID 107558241

IUPACN-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC2CC2)s1
InChIInChI=1S/C12H19NOS/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyWUSJQNDTMNPDRL-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.78
Rot. Bonds7

About N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107558241) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107558241
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COCC2CC2)s1
InChIInChI=1S/C12H19NOS/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyWUSJQNDTMNPDRL-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
N-[[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107559170
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
4-[(5-ethylthiophen-2-yl)methoxymethyl]piperidine
CID 62340071
1-(4-ethylcyclohexyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 55192164
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
N-[[5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62486908

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107558241) is N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COCC2CC2)s1.
What is the InChIKey of N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is WUSJQNDTMNPDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-13-7-11-5-6-12(15-11)9-14-8-10-3-4-10/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).