N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline

C19H21N3O — CID 9059330

IUPACN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C\c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C19H21N3O/c1-14-6-8-18(9-7-14)21-20-12-17-11-15(2)22(16(17)3)13-19-5-4-10-23-19/h4-12,21H,13H2,1-3H3/b20-12-
InChIKeyNAAKWGWBJYJQLT-NDENLUEZSA-N
MW307.40 g/mol
LogP4.50
Rot. Bonds5

About N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline

N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline (PubChem CID 9059330) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
PubChem CID9059330
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline
SMILESCc1ccc(N/N=C\c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C19H21N3O/c1-14-6-8-18(9-7-14)21-20-12-17-11-15(2)22(16(17)3)13-19-5-4-10-23-19/h4-12,21H,13H2,1-3H3/b20-12-
InChIKeyNAAKWGWBJYJQLT-NDENLUEZSA-N
XLogP4.50
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea
CID 9216259
2-fluoro-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 9235662
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026741
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036
N-[(Z)-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 6282077
N,N-diethyl-4-[[(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzamide
CID 8503780
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate
CID 7768096
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate
CID 8953651
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
[(1S)-1-cyanoethyl] (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate
CID 7768025

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline (CID 9059330) is N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline is Cc1ccc(N/N=C\c2cc(C)n(Cc3ccco3)c2C)cc1.
What is the InChIKey of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline?
The InChIKey is NAAKWGWBJYJQLT-NDENLUEZSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-6-8-18(9-7-14)21-20-12-17-11-15(2)22(16(17)3)13-19-5-4-10-23-19/h4-12,21H,13H2,1-3H3/b20-12-.
What are the key properties of N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline?
N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline has a molecular weight of 307.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 9059330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).