[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone

C13H13NO3 — CID 82082014

IUPAC[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(CN)o2)c1
InChIInChI=1S/C13H13NO3/c1-16-10-4-2-3-9(7-10)13(15)12-6-5-11(8-14)17-12/h2-7H,8,14H2,1H3
InChIKeyXJJPQPYDSIQSKG-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.98
Rot. Bonds4

About [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone

[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone (PubChem CID 82082014) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
PubChem CID82082014
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(CN)o2)c1
InChIInChI=1S/C13H13NO3/c1-16-10-4-2-3-9(7-10)13(15)12-6-5-11(8-14)17-12/h2-7H,8,14H2,1H3
InChIKeyXJJPQPYDSIQSKG-UHFFFAOYSA-N
XLogP1.98
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(chloromethyl)furan-2-yl]-(3-methoxyphenyl)methanone
CID 82087506
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
(3-cyclopropyloxyphenyl)-(5-ethylfuran-2-yl)methanone
CID 115813103
[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
[5-(aminomethyl)furan-2-yl]-naphthalen-1-ylmethanone
CID 116590185
[5-(aminomethyl)furan-2-yl]-(4-propan-2-ylphenyl)methanone
CID 82085122
[6-(diethylamino)-1-benzofuran-2-yl]-(3-methoxyphenyl)methanone
CID 11551551
[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 116589973
[5-(aminomethyl)furan-2-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 82084675

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone (CID 82082014) is [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(CN)o2)c1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone?
The InChIKey is XJJPQPYDSIQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-10-4-2-3-9(7-10)13(15)12-6-5-11(8-14)17-12/h2-7H,8,14H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone?
[5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone has a molecular weight of 231.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 82082014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).