N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine

C15H19NO — CID 62346664

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
SMILESCCc1ccc(CNCCc2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-2-14-8-9-15(17-14)12-16-11-10-13-6-4-3-5-7-13/h3-9,16H,2,10-12H2,1H3
InChIKeyPPISTAKCGUKUSB-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.17
Rot. Bonds6

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

N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine (PubChem CID 62346664) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
PubChem CID62346664
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
SMILESCCc1ccc(CNCCc2ccccc2)o1
InChIInChI=1S/C15H19NO/c1-2-14-8-9-15(17-14)12-16-11-10-13-6-4-3-5-7-13/h3-9,16H,2,10-12H2,1H3
InChIKeyPPISTAKCGUKUSB-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

N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
N-[(5-ethylfuran-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79762599
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
3-[(5-ethylfuran-2-yl)methylamino]propan-1-ol
CID 62346673
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylethanamine
CID 115697427
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine (CID 62346664) is N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine is CCc1ccc(CNCCc2ccccc2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine?
The InChIKey is PPISTAKCGUKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-14-8-9-15(17-14)12-16-11-10-13-6-4-3-5-7-13/h3-9,16H,2,10-12H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine?
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine 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-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 62346664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).