(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane

C14H20ClN — CID 143567465

IUPAC(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane
SMILESC/C=C\C(=N/C)c1c(C)cccc1Cl.CC
InChIInChI=1S/C12H14ClN.C2H6/c1-4-6-11(14-3)12-9(2)7-5-8-10(12)13;1-2/h4-8H,1-3H3;1-2H3/b6-4-,14-11+;
InChIKeyQGCHJHLHLYKZSA-IYBXYNNESA-N
MW237.77 g/mol
LogP4.67
Rot. Bonds2

About (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane

(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane (PubChem CID 143567465) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane
PubChem CID143567465
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane
SMILESC/C=C\C(=N/C)c1c(C)cccc1Cl.CC
InChIInChI=1S/C12H14ClN.C2H6/c1-4-6-11(14-3)12-9(2)7-5-8-10(12)13;1-2/h4-8H,1-3H3;1-2H3/b6-4-,14-11+;
InChIKeyQGCHJHLHLYKZSA-IYBXYNNESA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(2,6-dimethylphenyl)-N-propan-2-ylbut-2-en-1-imine
CID 166972569
1-chloro-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfanylmethyl]-3-methylbenzene
CID 129096900
(2-chloro-6-methylphenyl)-phosphanylmethanone
CID 159149491
methyl 2-(2-chloro-6-methylphenyl)-2-oxoacetate
CID 130137004
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
1-chloro-3-methyl-2-prop-1-en-2-ylbenzene;propane
CID 163302600
2-chloro-6-methyl-N'-phenylbenzenecarboximidamide
CID 150758407
1-chloro-3-methyl-2-(4-propylhept-3-en-3-yl)benzene
CID 155108241
1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
CID 143026644
(Z)-1-(3-chloro-2-methylphenyl)but-2-en-1-one
CID 146568729
1-methyl-2-[(2Z,4E,6Z)-5-methylocta-2,4,6-trien-4-yl]benzene
CID 144820853
2-chloro-6-methylphenol;yttrium
CID 178141464

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane?
The IUPAC name of (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane (CID 143567465) is (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane?
The canonical SMILES for (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane is C/C=C\C(=N/C)c1c(C)cccc1Cl.CC.
What is the InChIKey of (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane?
The InChIKey is QGCHJHLHLYKZSA-IYBXYNNESA-N. The full InChI is InChI=1S/C12H14ClN.C2H6/c1-4-6-11(14-3)12-9(2)7-5-8-10(12)13;1-2/h4-8H,1-3H3;1-2H3/b6-4-,14-11+;.
What are the key properties of (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane?
(Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane has a molecular weight of 237.77 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chloro-6-methylphenyl)-N-methylbut-2-en-1-imine;ethane is sourced from PubChem (CID 143567465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).