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

C12H12ClNO2 — CID 82710324

IUPAC1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
SMILESClc1ccc(CNOCc2ccccc2)o1
InChIInChI=1S/C12H12ClNO2/c13-12-7-6-11(16-12)8-14-15-9-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyZXXGDOXHEYKJNK-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.15
Rot. Bonds5

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

1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine (PubChem CID 82710324) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
PubChem CID82710324
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine
SMILESClc1ccc(CNOCc2ccccc2)o1
InChIInChI=1S/C12H12ClNO2/c13-12-7-6-11(16-12)8-14-15-9-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKeyZXXGDOXHEYKJNK-UHFFFAOYSA-N
XLogP3.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.15
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
1-(furan-2-yl)-N-phenylmethoxymethanamine
CID 82709159
1-(4-ethylphenyl)-N-phenylmethoxymethanamine
CID 64974535
1-(4-chloro-3-fluorophenyl)-N-phenylmethoxymethanamine
CID 82709496
1-(2,5-dimethyl-1,3-oxazol-4-yl)-N-phenylmethoxymethanamine
CID 96806067
N-phenylmethoxy-1-thiophen-3-ylmethanamine
CID 64974208
N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
CID 82710009
N-[(5-chlorofuran-2-yl)methyl]-3,3-dimethyl-1-phenylbutan-1-amine
CID 60780951
2-(phenylmethoxymethyl)-5-[5-(phenylmethoxymethyl)furan-2-yl]furan
CID 102127806
N-phenylmethoxy-2-[2-[2-(phenylmethoxyamino)ethoxy]ethoxy]ethanamine
CID 10522538
1-(2-ethylpyrazol-3-yl)-N-phenylmethoxymethanamine
CID 114556010
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine (CID 82710324) is 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine is Clc1ccc(CNOCc2ccccc2)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is ZXXGDOXHEYKJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-12-7-6-11(16-12)8-14-15-9-10-4-2-1-3-5-10/h1-7,14H,8-9H2.
What are the key properties of 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine?
1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 237.69 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 82710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).