N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine

C20H21NO2 — CID 17055149

IUPACN-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1ccc(COc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C20H21NO2/c1-16-7-9-17(10-8-16)15-23-19-5-2-4-18(12-19)13-21-14-20-6-3-11-22-20/h2-12,21H,13-15H2,1H3
InChIKeyOOXGGQRYIPVZKB-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.46
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine

N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine (PubChem CID 17055149) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
PubChem CID17055149
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine
SMILESCc1ccc(COc2cccc(CNCc3ccco3)c2)cc1
InChIInChI=1S/C20H21NO2/c1-16-7-9-17(10-8-16)15-23-19-5-2-4-18(12-19)13-21-14-20-6-3-11-22-20/h2-12,21H,13-15H2,1H3
InChIKeyOOXGGQRYIPVZKB-UHFFFAOYSA-N
XLogP4.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-(3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2996544
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
N-(furan-2-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 2995197
N-(furan-2-ylmethyl)-1-(3-heptoxyphenyl)methanamine
CID 54850246
1-[3-(2,2-difluoroethoxy)phenyl]-N-(furan-2-ylmethyl)methanamine
CID 119123469
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
1-[3-(furan-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 67855263
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanamine
CID 2993502
[3-[(furan-2-ylmethylamino)methyl]phenyl] ethanesulfonate
CID 3545443
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine (CID 17055149) is N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine is Cc1ccc(COc2cccc(CNCc3ccco3)c2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine?
The InChIKey is OOXGGQRYIPVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-16-7-9-17(10-8-16)15-23-19-5-2-4-18(12-19)13-21-14-20-6-3-11-22-20/h2-12,21H,13-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine?
N-(furan-2-ylmethyl)-1-[3-[(4-methylphenyl)methoxy]phenyl]methanamine has a molecular weight of 307.39 g/mol, XLogP of 4.46, 7 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-[3-[(4-methylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 17055149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).