4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline

C14H18N2O — CID 776373

IUPAC4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3
InChIKeyCTIJIFPFXXKIKH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.64
Rot. Bonds5

About 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline

4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline (PubChem CID 776373) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
PubChem CID776373
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3
InChIKeyCTIJIFPFXXKIKH-UHFFFAOYSA-N
XLogP2.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Furfenorex
CID 26762
N-(4-methylphenyl)furan-2-carboxamide
CID 785196
1-(Furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 694026
Furfurylamphetamine
CID 18116
1-Furfuryl-3-phenyl-2-thiourea
CID 689750
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 118409083
5-(2-Furylmethyl)-1-(4-methylphenyl)-1,3,5-triazinane-2-thione
CID 3546592
1-(4-Acetylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 863535
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-(2-methylphenyl)-2-furamide
CID 2246088
Benzyl(furan-2-ylmethyl)amine
CID 39338

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline (CID 776373) is 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCc2ccco2)cc1.
What is the InChIKey of 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is CTIJIFPFXXKIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline?
4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 230.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 776373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).