N-(4-chloro-2-methylphenyl)butan-2-imine

C11H14ClN — CID 138749574

IUPACN-(4-chloro-2-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClN/c1-4-9(3)13-11-6-5-10(12)7-8(11)2/h5-7H,4H2,1-3H3/b13-9+
InChIKeyJVEPJMYOLIVZRT-UKTHLTGXSA-N
MW195.69 g/mol
LogP4.15
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)butan-2-imine

N-(4-chloro-2-methylphenyl)butan-2-imine (PubChem CID 138749574) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)butan-2-imine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)butan-2-imine
PubChem CID138749574
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-(4-chloro-2-methylphenyl)butan-2-imine
SMILESCC/C(C)=N/c1ccc(Cl)cc1C
InChIInChI=1S/C11H14ClN/c1-4-9(3)13-11-6-5-10(12)7-8(11)2/h5-7H,4H2,1-3H3/b13-9+
InChIKeyJVEPJMYOLIVZRT-UKTHLTGXSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
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CID 143957577
N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
CID 114256582
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
methyl 2-(4-chloro-2-methylphenyl)imino-5,5-dimethyl-4-oxohexanoate
CID 91150342
4-chloro-N-(4-chloro-2-methylphenyl)dithiazol-5-imine
CID 1471255
N'-(4-chloro-2-methylphenyl)-N-[(4-chloro-2-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 71436952
(NE)-N-[1-(4-chloro-2-methylphenyl)ethylidene]hydroxylamine
CID 22256023
2-[(4-chloro-2-methylphenyl)diazenyl]-N-methylethanimine
CID 123539241
benzyl-(4-chloro-2-methylphenyl)diazene
CID 54063455
acetyl chloride;4-chloro-1,2-dimethylbenzene
CID 174808009
N'-(5-chloro-2-methoxyphenyl)propanimidamide
CID 63178327

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)butan-2-imine?
The IUPAC name of N-(4-chloro-2-methylphenyl)butan-2-imine (CID 138749574) is N-(4-chloro-2-methylphenyl)butan-2-imine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)butan-2-imine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)butan-2-imine is CC/C(C)=N/c1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)butan-2-imine?
The InChIKey is JVEPJMYOLIVZRT-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H14ClN/c1-4-9(3)13-11-6-5-10(12)7-8(11)2/h5-7H,4H2,1-3H3/b13-9+.
What are the key properties of N-(4-chloro-2-methylphenyl)butan-2-imine?
N-(4-chloro-2-methylphenyl)butan-2-imine has a molecular weight of 195.69 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)butan-2-imine is sourced from PubChem (CID 138749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).