N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine

C20H21NO2 — CID 54797970

IUPACN-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
SMILESc1ccc(CCOc2ccccc2CNCc2ccco2)cc1
InChIInChI=1S/C20H21NO2/c1-2-7-17(8-3-1)12-14-23-20-11-5-4-9-18(20)15-21-16-19-10-6-13-22-19/h1-11,13,21H,12,14-16H2
InChIKeyCVHRPZQKVBBGTF-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.19
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine

N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine (PubChem CID 54797970) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
PubChem CID54797970
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
SMILESc1ccc(CCOc2ccccc2CNCc2ccco2)cc1
InChIInChI=1S/C20H21NO2/c1-2-7-17(8-3-1)12-14-23-20-11-5-4-9-18(20)15-21-16-19-10-6-13-22-19/h1-11,13,21H,12,14-16H2
InChIKeyCVHRPZQKVBBGTF-UHFFFAOYSA-N
XLogP4.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
1-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 795886
1-[2-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331629
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818603
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine (CID 54797970) is N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine is c1ccc(CCOc2ccccc2CNCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine?
The InChIKey is CVHRPZQKVBBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-7-17(8-3-1)12-14-23-20-11-5-4-9-18(20)15-21-16-19-10-6-13-22-19/h1-11,13,21H,12,14-16H2.
What are the key properties of N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine has a molecular weight of 307.39 g/mol, XLogP of 4.19, 8 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-[2-(2-phenylethoxy)phenyl]methanamine is sourced from PubChem (CID 54797970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).