N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline

C17H16Cl2N2 — CID 144792170

IUPACN-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
SMILESC/C(=C/C(C)=N/c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C17H16Cl2N2/c1-12(20-14-7-4-3-5-8-14)11-13(2)21-17-15(18)9-6-10-16(17)19/h3-11,20H,1-2H3/b12-11-,21-13+
InChIKeyXMHUOHFZNZGPMU-UNRWDFRVSA-N
MW319.24 g/mol
LogP6.10
Rot. Bonds4

About N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline

N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline (PubChem CID 144792170) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
PubChem CID144792170
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC NameN-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
SMILESC/C(=C/C(C)=N/c1c(Cl)cccc1Cl)Nc1ccccc1
InChIInChI=1S/C17H16Cl2N2/c1-12(20-14-7-4-3-5-8-14)11-13(2)21-17-15(18)9-6-10-16(17)19/h3-11,20H,1-2H3/b12-11-,21-13+
InChIKeyXMHUOHFZNZGPMU-UNRWDFRVSA-N
XLogP6.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 56.10
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

1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
CID 177423131
1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
CID 116515439
3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
CID 175260191
(E)-3-anilinobut-2-enoic acid
CID 89350388
1-amino-2-(2-chloro-6-methylphenyl)-3-phenylguanidine
CID 116515718
2-[[(Z)-4-(4-cyanoanilino)pent-3-en-2-ylidene]amino]benzonitrile
CID 139109827
(Z)-3-(4-chloroanilino)-1-phenylbut-2-en-1-one
CID 5408006
(E)-3-(4-methylanilino)-N-phenylbut-2-enethioamide
CID 171977784
3-anilino-N-(4-methylphenyl)but-2-enethioamide
CID 71350568

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline?
The IUPAC name of N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline (CID 144792170) is N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline.
What is the SMILES notation for N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline?
The canonical SMILES for N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline is C/C(=C/C(C)=N/c1c(Cl)cccc1Cl)Nc1ccccc1.
What is the InChIKey of N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline?
The InChIKey is XMHUOHFZNZGPMU-UNRWDFRVSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-12(20-14-7-4-3-5-8-14)11-13(2)21-17-15(18)9-6-10-16(17)19/h3-11,20H,1-2H3/b12-11-,21-13+.
What are the key properties of N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline?
N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline has a molecular weight of 319.24 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline is sourced from PubChem (CID 144792170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).