N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine

C15H21ClN2OS — CID 62430691

IUPACN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C15H21ClN2OS/c1-4-17-8-13-7-12(11(2)19-13)9-18(3)10-14-5-6-15(16)20-14/h5-7,17H,4,8-10H2,1-3H3
InChIKeyGZNMVRAFCLXTKW-UHFFFAOYSA-N
MW312.87 g/mol
LogP4.04
Rot. Bonds7

About N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 62430691) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID62430691
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C15H21ClN2OS/c1-4-17-8-13-7-12(11(2)19-13)9-18(3)10-14-5-6-15(16)20-14/h5-7,17H,4,8-10H2,1-3H3
InChIKeyGZNMVRAFCLXTKW-UHFFFAOYSA-N
XLogP4.04
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62428901
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-[[5-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 55257484
N-[[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 55074253
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 62430691) is N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(CN(C)Cc2ccc(Cl)s2)c(C)o1.
What is the InChIKey of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is GZNMVRAFCLXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-4-17-8-13-7-12(11(2)19-13)9-18(3)10-14-5-6-15(16)20-14/h5-7,17H,4,8-10H2,1-3H3.
What are the key properties of N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 312.87 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62430691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).