N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine

C15H22N2OS — CID 80728370

IUPACN-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccco2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-4-16-9-15-8-13(12(2)19-15)10-17(3)11-14-6-5-7-18-14/h5-8,16H,4,9-11H2,1-3H3
InChIKeyKWRYKYMQUGDSRS-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.39
Rot. Bonds7

About N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine

N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 80728370) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
PubChem CID80728370
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccco2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-4-16-9-15-8-13(12(2)19-15)10-17(3)11-14-6-5-7-18-14/h5-8,16H,4,9-11H2,1-3H3
InChIKeyKWRYKYMQUGDSRS-UHFFFAOYSA-N
XLogP3.39
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80728052
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80719822
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 80728044

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine (CID 80728370) is N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2ccco2)c(C)s1.
What is the InChIKey of N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is KWRYKYMQUGDSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-16-9-15-8-13(12(2)19-15)10-17(3)11-14-6-5-7-18-14/h5-8,16H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80728370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).