N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

C16H21NO2 — CID 62347076

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCCc1ccc(CNCc2cccc(COC)c2)o1
InChIInChI=1S/C16H21NO2/c1-3-15-7-8-16(19-15)11-17-10-13-5-4-6-14(9-13)12-18-2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyWDHOQECRRKKOQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds7

About N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine

N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (PubChem CID 62347076) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
PubChem CID62347076
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
SMILESCCc1ccc(CNCc2cccc(COC)c2)o1
InChIInChI=1S/C16H21NO2/c1-3-15-7-8-16(19-15)11-17-10-13-5-4-6-14(9-13)12-18-2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyWDHOQECRRKKOQV-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine 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-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[(5-ethylfuran-2-yl)methyl]-1-(4-methoxyphenyl)methanamine
CID 62347378
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
1-[3-(methoxymethyl)phenyl]-N-(1,2-oxazol-4-ylmethyl)methanamine
CID 54896316
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 61003267
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine (CID 62347076) is N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is CCc1ccc(CNCc2cccc(COC)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
The InChIKey is WDHOQECRRKKOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-15-7-8-16(19-15)11-17-10-13-5-4-6-14(9-13)12-18-2/h4-9,17H,3,10-12H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine?
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 62347076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).