4-(2,5-dichlorophenyl)iminobut-2-en-2-amine

C10H10Cl2N2 — CID 152790361

IUPAC4-(2,5-dichlorophenyl)iminobut-2-en-2-amine
SMILESCC(N)=C/C=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-7(13)4-5-14-10-6-8(11)2-3-9(10)12/h2-6H,13H2,1H3/b7-4?,14-5+
InChIKeySFZQCKOZXCLZHY-FISATLKLSA-N
MW229.11 g/mol
LogP3.56
Rot. Bonds2

About 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine

4-(2,5-dichlorophenyl)iminobut-2-en-2-amine (PubChem CID 152790361) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)iminobut-2-en-2-amine
PubChem CID152790361
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name4-(2,5-dichlorophenyl)iminobut-2-en-2-amine
SMILESCC(N)=C/C=N/c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2N2/c1-7(13)4-5-14-10-6-8(11)2-3-9(10)12/h2-6H,13H2,1H3/b7-4?,14-5+
InChIKeySFZQCKOZXCLZHY-FISATLKLSA-N
XLogP3.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.56
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'-(2,5-dichlorophenyl)ethanimidamide
CID 63173337
(Z)-N-(2,5-dichlorophenyl)-3-phenylprop-2-en-1-imine
CID 122707265
N'-(2,5-dichlorophenyl)benzenecarboximidamide
CID 4119968
1,4-dichloro-2-selenonitrosobenzene
CID 175808541
(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
CID 125454990
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(2,5-dichlorophenyl)iminomethyl]-3-hydroxy-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 135447551
4-chloro-2-(2,2-dimethylpropylideneamino)phenol
CID 130289575
2-[1-(2,4-dichlorophenyl)ethyl]guanidine;hydroiodide
CID 110884485
N'-(2,4-dichlorophenyl)-2-methylpropanimidamide
CID 63174312
N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327
(E)-2-(2,4-dichlorophenyl)prop-1-en-1-amine
CID 163539195

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine (CID 152790361) is 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine is CC(N)=C/C=N/c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?
The InChIKey is SFZQCKOZXCLZHY-FISATLKLSA-N. The full InChI is InChI=1S/C10H10Cl2N2/c1-7(13)4-5-14-10-6-8(11)2-3-9(10)12/h2-6H,13H2,1H3/b7-4?,14-5+.
What are the key properties of 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine?
4-(2,5-dichlorophenyl)iminobut-2-en-2-amine has a molecular weight of 229.11 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)iminobut-2-en-2-amine is sourced from PubChem (CID 152790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).