N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine

C16H21NO2S — CID 56711474

IUPACN-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1ccc(C2CCCCO2)o1
InChIInChI=1S/C16H21NO2S/c1-17(10-13-7-9-20-12-13)11-14-5-6-16(19-14)15-4-2-3-8-18-15/h5-7,9,12,15H,2-4,8,10-11H2,1H3
InChIKeyAKERJTRGWCDGMJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.21
Rot. Bonds5

About N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine

N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 56711474) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID56711474
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1ccc(C2CCCCO2)o1
InChIInChI=1S/C16H21NO2S/c1-17(10-13-7-9-20-12-13)11-14-5-6-16(19-14)15-4-2-3-8-18-15/h5-7,9,12,15H,2-4,8,10-11H2,1H3
InChIKeyAKERJTRGWCDGMJ-UHFFFAOYSA-N
XLogP4.21
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-[3-(2H-tetrazol-5-yl)phenyl]methanamine
CID 77094972
N-methyl-1-[5-(oxan-2-yl)furan-2-yl]-N-(quinoxalin-2-ylmethyl)methanamine
CID 74240539
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine
CID 131948636
N-methyl-1-(oxiran-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 43528182
N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 131945851
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
2-[2-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]-4-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 135887647
4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxolan-3-amine
CID 66235906
5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-3-carboxylic acid
CID 62268165
[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexyl]methanamine
CID 79527589
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
CID 102731894

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine (CID 56711474) is N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1ccc(C2CCCCO2)o1.
What is the InChIKey of N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is AKERJTRGWCDGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-17(10-13-7-9-20-12-13)11-14-5-6-16(19-14)15-4-2-3-8-18-15/h5-7,9,12,15H,2-4,8,10-11H2,1H3.
What are the key properties of N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 56711474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).