N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline

C21H21NO2 — CID 54080971

IUPACN-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
SMILESC=C(c1ccc(OC)cc1)c1ccc(N(C)Cc2ccco2)cc1
InChIInChI=1S/C21H21NO2/c1-16(18-8-12-20(23-3)13-9-18)17-6-10-19(11-7-17)22(2)15-21-5-4-14-24-21/h4-14H,1,15H2,2-3H3
InChIKeyMNBZITQKGXGDLW-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.99
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline

N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline (PubChem CID 54080971) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
PubChem CID54080971
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
SMILESC=C(c1ccc(OC)cc1)c1ccc(N(C)Cc2ccco2)cc1
InChIInChI=1S/C21H21NO2/c1-16(18-8-12-20(23-3)13-9-18)17-6-10-19(11-7-17)22(2)15-21-5-4-14-24-21/h4-14H,1,15H2,2-3H3
InChIKeyMNBZITQKGXGDLW-UHFFFAOYSA-N
XLogP4.99
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline
CID 70393567
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63584554
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
[4-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3367007
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline (CID 54080971) is N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline is C=C(c1ccc(OC)cc1)c1ccc(N(C)Cc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline?
The InChIKey is MNBZITQKGXGDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-16(18-8-12-20(23-3)13-9-18)17-6-10-19(11-7-17)22(2)15-21-5-4-14-24-21/h4-14H,1,15H2,2-3H3.
What are the key properties of N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline?
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline has a molecular weight of 319.40 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 54080971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).