2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline

C19H22N2 — CID 23578391

IUPAC2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
SMILESC/C(=C\C(C)=N\c1ccccc1C)Nc1ccccc1C
InChIInChI=1S/C19H22N2/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2/h5-13,20H,1-4H3/b16-13+,21-17+
InChIKeyNODKDTKBLNKCOD-HDNIMXTOSA-N
MW278.40 g/mol
LogP5.41
Rot. Bonds4

About 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline

2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline (PubChem CID 23578391) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
PubChem CID23578391
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline
SMILESC/C(=C\C(C)=N\c1ccccc1C)Nc1ccccc1C
InChIInChI=1S/C19H22N2/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2/h5-13,20H,1-4H3/b16-13+,21-17+
InChIKeyNODKDTKBLNKCOD-HDNIMXTOSA-N
XLogP5.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-en-2-yl-2-methylaniline
CID 74062995
sodium (2-methylphenyl)-[(Z)-4-(2-methylphenyl)iminopent-2-en-2-yl]azanide
CID 139240453
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N,N'-bis(2-methylphenyl)-3-phenylprop-2-ynimidamide
CID 122216328
1-amino-1,2,3-tris(2-methylphenyl)guanidine
CID 67749783
N-(2-methoxyphenyl)-N'-(2-methylphenyl)ethanimidamide
CID 20660876
(E)-2-methyl-N-(2-methylphenyl)but-2-enethioamide
CID 126661898
1,2-bis(2-methylphenyl)guanidine;1,2-diphenylguanidine
CID 160707040
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
CID 4779414
(Z)-4-anilinopent-3-en-2-one;(Z)-4-(2-methylanilino)pent-3-en-2-one;(Z)-4-(2,4,6-trimethylanilino)pent-3-en-2-one
CID 158115472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline?
The IUPAC name of 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline (CID 23578391) is 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline.
What is the SMILES notation for 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline?
The canonical SMILES for 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline is C/C(=C\C(C)=N\c1ccccc1C)Nc1ccccc1C.
What is the InChIKey of 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline?
The InChIKey is NODKDTKBLNKCOD-HDNIMXTOSA-N. The full InChI is InChI=1S/C19H22N2/c1-14-9-5-7-11-18(14)20-16(3)13-17(4)21-19-12-8-6-10-15(19)2/h5-13,20H,1-4H3/b16-13+,21-17+.
What are the key properties of 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline?
2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline has a molecular weight of 278.40 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-4-(2-methylphenyl)iminopent-2-en-2-yl]aniline is sourced from PubChem (CID 23578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).