N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine

C20H21NO3 — CID 770195

IUPACN-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C20H21NO3/c1-22-20-12-17(13-21-14-18-8-5-11-23-18)9-10-19(20)24-15-16-6-3-2-4-7-16/h2-12,21H,13-15H2,1H3
InChIKeyYFPGFGQWWLYWNO-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.16
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine

N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine (PubChem CID 770195) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
PubChem CID770195
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
SMILESCOc1cc(CNCc2ccco2)ccc1OCc1ccccc1
InChIInChI=1S/C20H21NO3/c1-22-20-12-17(13-21-14-18-8-5-11-23-18)9-10-19(20)24-15-16-6-3-2-4-7-16/h2-12,21H,13-15H2,1H3
InChIKeyYFPGFGQWWLYWNO-UHFFFAOYSA-N
XLogP4.16
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine (CID 770195) is N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine is COc1cc(CNCc2ccco2)ccc1OCc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
The InChIKey is YFPGFGQWWLYWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-22-20-12-17(13-21-14-18-8-5-11-23-18)9-10-19(20)24-15-16-6-3-2-4-7-16/h2-12,21H,13-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine?
N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine has a molecular weight of 323.39 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 770195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).