2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

C17H23NO2 — CID 62451256

IUPAC2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1ccc(OCc2occc2CNCC(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-13(2)10-18-11-15-8-9-19-17(15)12-20-16-6-4-14(3)5-7-16/h4-9,13,18H,10-12H2,1-3H3
InChIKeyWSUZTXRYMQRLJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.91
Rot. Bonds7

About 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62451256) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62451256
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1ccc(OCc2occc2CNCC(C)C)cc1
InChIInChI=1S/C17H23NO2/c1-13(2)10-18-11-15-8-9-19-17(15)12-20-16-6-4-14(3)5-7-16/h4-9,13,18H,10-12H2,1-3H3
InChIKeyWSUZTXRYMQRLJL-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-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-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-[[3-[(4-methylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62449622
2-methyl-N-[[2-methyl-5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451623
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 66225246
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856
N-[[2-[(2,3-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63491123
N-[[2-[(2,4-dibromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64712467
N-[[2-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62445760
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
N-[[2-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 63648919

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine (CID 62451256) is 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is Cc1ccc(OCc2occc2CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is WSUZTXRYMQRLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13(2)10-18-11-15-8-9-19-17(15)12-20-16-6-4-14(3)5-7-16/h4-9,13,18H,10-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62451256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).