4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline

C20H22N2O — CID 155533033

IUPAC4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(NCc2ccc(CNc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H22N2O/c1-15-3-7-17(8-4-15)21-13-19-11-12-20(23-19)14-22-18-9-5-16(2)6-10-18/h3-12,21-22H,13-14H2,1-2H3
InChIKeyUTOROWRDEZCBPU-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.12
Rot. Bonds6

About 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline

4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline (PubChem CID 155533033) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
PubChem CID155533033
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
SMILESCc1ccc(NCc2ccc(CNc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C20H22N2O/c1-15-3-7-17(8-4-15)21-13-19-11-12-20(23-19)14-22-18-9-5-16(2)6-10-18/h3-12,21-22H,13-14H2,1-2H3
InChIKeyUTOROWRDEZCBPU-UHFFFAOYSA-N
XLogP5.12
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
CID 62084803
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
4-methyl-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956234
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 62346872
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
N-[[5-(aminomethyl)furan-2-yl]methyl]aniline
CID 23130500
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline (CID 155533033) is 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline is Cc1ccc(NCc2ccc(CNc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is UTOROWRDEZCBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-3-7-17(8-4-15)21-13-19-11-12-20(23-19)14-22-18-9-5-16(2)6-10-18/h3-12,21-22H,13-14H2,1-2H3.
What are the key properties of 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline?
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 306.41 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 155533033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).