1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine

C14H17NO2 — CID 82709697

IUPAC1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
SMILESCCc1ccc(CNOCc2ccccc2)o1
InChIInChI=1S/C14H17NO2/c1-2-13-8-9-14(17-13)10-15-16-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyBCXIFMPOQHRGSB-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.06
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine

1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine (PubChem CID 82709697) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
PubChem CID82709697
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine
SMILESCCc1ccc(CNOCc2ccccc2)o1
InChIInChI=1S/C14H17NO2/c1-2-13-8-9-14(17-13)10-15-16-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3
InChIKeyBCXIFMPOQHRGSB-UHFFFAOYSA-N
XLogP3.06
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
CID 82710324
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
N-[(5-ethylfuran-2-yl)methyl]-2-phenylethanamine
CID 62346664
1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
CID 114556010
1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
CID 96806067
N-[(5-ethylfuran-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62347076
benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857346
1-(3-ethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708969
2-methyl-3-(phenylmethoxyamino)propanoic acid
CID 21019710
methyl 2-[5-[(phenylmethoxyamino)methyl]thiophen-2-yl]acetate
CID 82886296

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine (CID 82709697) is 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine is CCc1ccc(CNOCc2ccccc2)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is BCXIFMPOQHRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-13-8-9-14(17-13)10-15-16-11-12-6-4-3-5-7-12/h3-9,15H,2,10-11H2,1H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine?
1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 231.29 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).