1-(furan-2-yl)-N-phenylmethoxymethanamine

C12H13NO2 — CID 82709159

IUPAC1-(furan-2-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccco2)cc1
InChIInChI=1S/C12H13NO2/c1-2-5-11(6-3-1)10-15-13-9-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKeyKXOOPLWLVBJJQM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.50
Rot. Bonds5

About 1-(furan-2-yl)-N-phenylmethoxymethanamine

1-(furan-2-yl)-N-phenylmethoxymethanamine (PubChem CID 82709159) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-phenylmethoxymethanamine
PubChem CID82709159
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(furan-2-yl)-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccco2)cc1
InChIInChI=1S/C12H13NO2/c1-2-5-11(6-3-1)10-15-13-9-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKeyKXOOPLWLVBJJQM-UHFFFAOYSA-N
XLogP2.50
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.50
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-ethylfuran-2-yl)-N-phenylmethoxymethanamine
CID 82709697
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
(furan-2-ylmethylamino) formate
CID 174755937
benzyl 2-(furan-2-yl)acetate
CID 11447250
(3S,4R)-N-(furan-2-ylmethyl)-4-(phenylmethoxymethyl)hex-1-en-3-amine
CID 53376316
N-(furan-2-ylmethyl)-4-phenylmethoxynaphthalene-2-carboxamide
CID 162674987
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
CID 82710009
(3S,4R)-4-ethyl-N-(furan-2-ylmethyl)-6-phenylmethoxyhex-1-en-3-amine
CID 53376214

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(furan-2-yl)-N-phenylmethoxymethanamine (CID 82709159) is 1-(furan-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-phenylmethoxymethanamine is c1ccc(CONCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is KXOOPLWLVBJJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-5-11(6-3-1)10-15-13-9-12-7-4-8-14-12/h1-8,13H,9-10H2.
What are the key properties of 1-(furan-2-yl)-N-phenylmethoxymethanamine?
1-(furan-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 203.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82709159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).