N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

C13H18N2OS — CID 62431529

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(CN)o1
InChIInChI=1S/C13H18N2OS/c1-10(13-4-3-7-17-13)15(2)9-12-6-5-11(8-14)16-12/h3-7,10H,8-9,14H2,1-2H3
InChIKeyJFIFMRSGGYLVSN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.99
Rot. Bonds5

About N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 62431529) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID62431529
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccc(CN)o1
InChIInChI=1S/C13H18N2OS/c1-10(13-4-3-7-17-13)15(2)9-12-6-5-11(8-14)16-12/h3-7,10H,8-9,14H2,1-2H3
InChIKeyJFIFMRSGGYLVSN-UHFFFAOYSA-N
XLogP2.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-carboxylic acid
CID 54980900
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
N-methyl-N-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 55739537
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
1-[methyl(1-thiophen-2-ylethyl)amino]butan-2-one
CID 62040161
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
CID 94489500
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
4-amino-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenol
CID 54980602
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115286690
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 62431529) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1ccc(CN)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is JFIFMRSGGYLVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-10(13-4-3-7-17-13)15(2)9-12-6-5-11(8-14)16-12/h3-7,10H,8-9,14H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62431529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).