N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine

C15H22N2OS — CID 79494312

IUPACN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCNCc1cc(CN(C)CCc2cccs2)c(C)o1
InChIInChI=1S/C15H22N2OS/c1-12-13(9-14(18-12)10-16-2)11-17(3)7-6-15-5-4-8-19-15/h4-5,8-9,16H,6-7,10-11H2,1-3H3
InChIKeyCTXSZMMXTXYVCC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.04
Rot. Bonds7

About N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine

N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 79494312) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
PubChem CID79494312
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCNCc1cc(CN(C)CCc2cccs2)c(C)o1
InChIInChI=1S/C15H22N2OS/c1-12-13(9-14(18-12)10-16-2)11-17(3)7-6-15-5-4-8-19-15/h4-5,8-9,16H,6-7,10-11H2,1-3H3
InChIKeyCTXSZMMXTXYVCC-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464235
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
1-cyclopropyl-N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]methanamine
CID 62427462
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 114852491
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
N-[[5-methyl-4-[[methyl(2-thiophen-2-ylethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80719555
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411511
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cyclohexanamine
CID 62425372
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine (CID 79494312) is N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine is CNCc1cc(CN(C)CCc2cccs2)c(C)o1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is CTXSZMMXTXYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-13(9-14(18-12)10-16-2)11-17(3)7-6-15-5-4-8-19-15/h4-5,8-9,16H,6-7,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine?
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79494312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).