3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline

C16H22N2O2 — CID 62431150

IUPAC3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1oc(CN(C)c2cccc(OC)c2)cc1C
InChIInChI=1S/C16H22N2O2/c1-12-8-15(20-16(12)10-17-2)11-18(3)13-6-5-7-14(9-13)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyGETNUMVAKCLPHP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.95
Rot. Bonds6

About 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline

3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62431150) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62431150
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1oc(CN(C)c2cccc(OC)c2)cc1C
InChIInChI=1S/C16H22N2O2/c1-12-8-15(20-16(12)10-17-2)11-18(3)13-6-5-7-14(9-13)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyGETNUMVAKCLPHP-UHFFFAOYSA-N
XLogP2.95
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline 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

N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]cyclohexanamine
CID 62424078
1-[5-[(3-ethylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 62451776
N-methyl-1-[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methanamine
CID 62452733
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-methyl-1-[3-methyl-5-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454694
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
5-[(3-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55046271

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62431150) is 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline is CNCc1oc(CN(C)c2cccc(OC)c2)cc1C.
What is the InChIKey of 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is GETNUMVAKCLPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-8-15(20-16(12)10-17-2)11-18(3)13-6-5-7-14(9-13)19-4/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline?
3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 274.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62431150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).