N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine

C13H15NO2 — CID 791962

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H15NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3
InChIKeyNXCLTNSLLMYDPB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.58
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine (PubChem CID 791962) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
PubChem CID791962
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccco2)cc1
InChIInChI=1S/C13H15NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3
InChIKeyNXCLTNSLLMYDPB-UHFFFAOYSA-N
XLogP2.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine (CID 791962) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The InChIKey is NXCLTNSLLMYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-15-12-6-4-11(5-7-12)9-14-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine has a molecular weight of 217.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 791962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).