N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine

C15H19NO — CID 43395380

IUPACN-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESCCc1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C15H19NO/c1-2-13-5-7-14(8-6-13)12-16-10-9-15-4-3-11-17-15/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyGKXOFRYYZKXRNU-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine

N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine (PubChem CID 43395380) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
PubChem CID43395380
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
SMILESCCc1ccc(CNCCc2ccco2)cc1
InChIInChI=1S/C15H19NO/c1-2-13-5-7-14(8-6-13)12-16-10-9-15-4-3-11-17-15/h3-8,11,16H,2,9-10,12H2,1H3
InChIKeyGKXOFRYYZKXRNU-UHFFFAOYSA-N
XLogP3.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.17
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

2-(furan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43395358
N-[(3-bromo-4-methylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 115875898
2-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408059
2-(furan-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 43395504
2-(furan-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 43395395
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
3-[[2-(furan-2-yl)ethylamino]methyl]benzoic acid
CID 103242155
N-[(5-chlorofuran-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 60664542
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine (CID 43395380) is N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine is CCc1ccc(CNCCc2ccco2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine?
The InChIKey is GKXOFRYYZKXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-13-5-7-14(8-6-13)12-16-10-9-15-4-3-11-17-15/h3-8,11,16H,2,9-10,12H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine?
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 43395380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).