N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

C17H23NO3 — CID 62450301

IUPACN-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCOc1cc(C)ccc1OCc1occc1CNC(C)C
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-14-7-8-20-17(14)11-21-15-6-5-13(3)9-16(15)19-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyVUURLFITIGEZKW-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62450301) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62450301
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCOc1cc(C)ccc1OCc1occc1CNC(C)C
InChIInChI=1S/C17H23NO3/c1-12(2)18-10-14-7-8-20-17(14)11-21-15-6-5-13(3)9-16(15)19-4/h5-9,12,18H,10-11H2,1-4H3
InChIKeyVUURLFITIGEZKW-UHFFFAOYSA-N
XLogP3.67
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine 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-[[2-[(2-methoxyphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62459920
N-[[2-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62458317
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 102986350
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[2-[(2-fluoro-5-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 64853909
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
N-[[2-(1,3-benzodioxol-5-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62452160
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888367

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine (CID 62450301) is N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is COc1cc(C)ccc1OCc1occc1CNC(C)C.
What is the InChIKey of N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is VUURLFITIGEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)18-10-14-7-8-20-17(14)11-21-15-6-5-13(3)9-16(15)19-4/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxy-4-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62450301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).