N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline

C21H21NO2 — CID 70393567

IUPACN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline
SMILESC=C(c1ccc(OC)cc1)c1ccc(C)cc1NCc1ccco1
InChIInChI=1S/C21H21NO2/c1-15-6-11-20(16(2)17-7-9-18(23-3)10-8-17)21(13-15)22-14-19-5-4-12-24-19/h4-13,22H,2,14H2,1,3H3
InChIKeyMKLSAFZPSLLJLY-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.27
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline

N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline (PubChem CID 70393567) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline
PubChem CID70393567
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline
SMILESC=C(c1ccc(OC)cc1)c1ccc(C)cc1NCc1ccco1
InChIInChI=1S/C21H21NO2/c1-15-6-11-20(16(2)17-7-9-18(23-3)10-8-17)21(13-15)22-14-19-5-4-12-24-19/h4-13,22H,2,14H2,1,3H3
InChIKeyMKLSAFZPSLLJLY-UHFFFAOYSA-N
XLogP5.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
CID 54080971
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
3-(furan-2-ylmethylamino)-4-methoxybenzamide
CID 43735328
2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol
CID 155451949
4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 155452009
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline (CID 70393567) is N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline is C=C(c1ccc(OC)cc1)c1ccc(C)cc1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline?
The InChIKey is MKLSAFZPSLLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-6-11-20(16(2)17-7-9-18(23-3)10-8-17)21(13-15)22-14-19-5-4-12-24-19/h4-13,22H,2,14H2,1,3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline?
N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline has a molecular weight of 319.40 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)ethenyl]-5-methylaniline is sourced from PubChem (CID 70393567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).