5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline

C14H18N2O — CID 61422466

IUPAC5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
SMILESCc1ccc(CN(C)Cc2ccoc2)cc1N
InChIInChI=1S/C14H18N2O/c1-11-3-4-12(7-14(11)15)8-16(2)9-13-5-6-17-10-13/h3-7,10H,8-9,15H2,1-2H3
InChIKeyHSYHOXZWZOVQMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.80
Rot. Bonds4

About 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline

5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline (PubChem CID 61422466) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
PubChem CID61422466
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline
SMILESCc1ccc(CN(C)Cc2ccoc2)cc1N
InChIInChI=1S/C14H18N2O/c1-11-3-4-12(7-14(11)15)8-16(2)9-13-5-6-17-10-13/h3-7,10H,8-9,15H2,1-2H3
InChIKeyHSYHOXZWZOVQMY-UHFFFAOYSA-N
XLogP2.80
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43272233
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948
2-methyl-5-[[methyl(3-methylbutyl)amino]methyl]aniline
CID 61429364
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61412798
[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]boronic acid
CID 54970779
[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 61421488
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911

Frequently Asked Questions

What is the IUPAC name of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline?
The IUPAC name of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline (CID 61422466) is 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline is Cc1ccc(CN(C)Cc2ccoc2)cc1N.
What is the InChIKey of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline?
The InChIKey is HSYHOXZWZOVQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-4-12(7-14(11)15)8-16(2)9-13-5-6-17-10-13/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline?
5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline has a molecular weight of 230.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[furan-3-ylmethyl(methyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 61422466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).