4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline

C21H24N2O — CID 2841012

IUPAC4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cc(C)c(N)c(C)c2)c2ccco2)cc(C)c1N
InChIInChI=1S/C21H24N2O/c1-12-8-16(9-13(2)20(12)22)19(18-6-5-7-24-18)17-10-14(3)21(23)15(4)11-17/h5-11,19H,22-23H2,1-4H3
InChIKeyMTWYSMLSPZBHPO-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.86
Rot. Bonds3

About 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline

4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline (PubChem CID 2841012) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline
PubChem CID2841012
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline
SMILESCc1cc(C(c2cc(C)c(N)c(C)c2)c2ccco2)cc(C)c1N
InChIInChI=1S/C21H24N2O/c1-12-8-16(9-13(2)20(12)22)19(18-6-5-7-24-18)17-10-14(3)21(23)15(4)11-17/h5-11,19H,22-23H2,1-4H3
InChIKeyMTWYSMLSPZBHPO-UHFFFAOYSA-N
XLogP4.86
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-Furanyl)benzenamine
CID 44420988
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
N-(2,4-dimethylphenyl)-3-(2-furyl)-2-phenylacrylamide
CID 882964
3-Amino-5-(furan-2-yl)biphenyl-2,4-dicarbonitrile
CID 625239
4-({[3-(Furan-2-YL)-4-phenylbutyl]amino}methyl)-N,N-dimethylaniline
CID 2929395
1-[4-[5-(4-Guanidino-2,3-dimethyl-phenyl)-2-furyl]-2,3-dimethyl-phenyl]guanidine
CID 3007924
4,4'-(2-Furylmethylene)bis(N,N-dimethylaniline)
CID 93788
N-(2,6-dimethylphenyl)-3-(2-furyl)-2-phenylacrylamide
CID 881454
(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 2430757
6-[4-(Dimethylamino)phenyl]-4-(5-methylfuran-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24858679
4-(5-Methylfuran-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 44586994
4-(5-Methylfuran-2-yl)-2-(4-nitrophenyl)benzaldehyde
CID 44586877

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline (CID 2841012) is 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline is Cc1cc(C(c2cc(C)c(N)c(C)c2)c2ccco2)cc(C)c1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline?
The InChIKey is MTWYSMLSPZBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-12-8-16(9-13(2)20(12)22)19(18-6-5-7-24-18)17-10-14(3)21(23)15(4)11-17/h5-11,19H,22-23H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline?
4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline has a molecular weight of 320.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylphenyl)-(furan-2-yl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 2841012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).