N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine

C15H19NO — CID 115651503

IUPACN-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1occc1C
InChIInChI=1S/C15H19NO/c1-12-5-3-4-6-14(12)7-9-16-11-15-13(2)8-10-17-15/h3-6,8,10,16H,7,9,11H2,1-2H3
InChIKeyJVKJRPADPZCDIO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.23
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 115651503) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID115651503
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1occc1C
InChIInChI=1S/C15H19NO/c1-12-5-3-4-6-14(12)7-9-16-11-15-13(2)8-10-17-15/h3-6,8,10,16H,7,9,11H2,1-2H3
InChIKeyJVKJRPADPZCDIO-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115651180
N-[(3-methylfuran-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 115651235
1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652969
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
3-[[2-(2-methylphenyl)ethylamino]methyl]benzene-1,2-diol
CID 79762957
N-[(5-iodofuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763223
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 115651503) is N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is JVKJRPADPZCDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-5-3-4-6-14(12)7-9-16-11-15-13(2)8-10-17-15/h3-6,8,10,16H,7,9,11H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 115651503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).