N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine

C16H21NO — CID 79762599

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCc1ccc(CNCCc2ccccc2C)o1
InChIInChI=1S/C16H21NO/c1-3-15-8-9-16(18-15)12-17-11-10-14-7-5-4-6-13(14)2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyIXYPAKFIWLHSDD-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.48
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 79762599) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID79762599
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCc1ccc(CNCCc2ccccc2C)o1
InChIInChI=1S/C16H21NO/c1-3-15-8-9-16(18-15)12-17-11-10-14-7-5-4-6-13(14)2/h4-9,17H,3,10-12H2,1-2H3
InChIKeyIXYPAKFIWLHSDD-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine 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-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 115651503
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
N-[[5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62452561

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 79762599) is N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine is CCc1ccc(CNCCc2ccccc2C)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is IXYPAKFIWLHSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-15-8-9-16(18-15)12-17-11-10-14-7-5-4-6-13(14)2/h4-9,17H,3,10-12H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79762599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).