N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane

C12H19ClN2 — CID 162381464

IUPACN'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane
SMILESCC.Cc1cc(/N=C/N(C)C)ccc1Cl
InChIInChI=1S/C10H13ClN2.C2H6/c1-8-6-9(4-5-10(8)11)12-7-13(2)3;1-2/h4-7H,1-3H3;1-2H3/b12-7+;
InChIKeyYSRXULKEVLQSSB-RRAJOLSVSA-N
MW226.75 g/mol
LogP3.90
Rot. Bonds2

About N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane

N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane (PubChem CID 162381464) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane.

Molecular Properties

Compound NameN'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane
PubChem CID162381464
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane
SMILESCC.Cc1cc(/N=C/N(C)C)ccc1Cl
InChIInChI=1S/C10H13ClN2.C2H6/c1-8-6-9(4-5-10(8)11)12-7-13(2)3;1-2/h4-7H,1-3H3;1-2H3/b12-7+;
InChIKeyYSRXULKEVLQSSB-RRAJOLSVSA-N
XLogP3.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
ethyl 2-chloro-4-(dimethylaminomethylideneamino)benzoate
CID 140840681
N,N-dimethyl-N'-pyridin-4-ylmethanimidamide
CID 28493
1-chloro-4-isocyanato-2-methylbenzene
CID 11400996
N'-(2,6-dichlorophenyl)-N,N-dimethylmethanimidamide;hydrochloride
CID 12678020
2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine
CID 134195694
N'-(3-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 25765
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
N-(4-chloro-3-methylphenyl)-N-methylsulfonylmethanesulfonamide;ethane
CID 159446047
N'-(4-chloro-2-fluorophenyl)-N,N-dimethylmethanimidamide
CID 131233035
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane?
The IUPAC name of N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane (CID 162381464) is N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane.
What is the SMILES notation for N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane?
The canonical SMILES for N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane is CC.Cc1cc(/N=C/N(C)C)ccc1Cl.
What is the InChIKey of N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane?
The InChIKey is YSRXULKEVLQSSB-RRAJOLSVSA-N. The full InChI is InChI=1S/C10H13ClN2.C2H6/c1-8-6-9(4-5-10(8)11)12-7-13(2)3;1-2/h4-7H,1-3H3;1-2H3/b12-7+;.
What are the key properties of N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane?
N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane has a molecular weight of 226.75 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-methylphenyl)-N,N-dimethylmethanimidamide;ethane is sourced from PubChem (CID 162381464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).