N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C16H24ClN3O2 — CID 173109798

IUPACN'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(OCC(CCl)=NOC)cc1C
InChIInChI=1S/C16H24ClN3O2/c1-6-20(4)11-18-15-7-13(3)16(8-12(15)2)22-10-14(9-17)19-21-5/h7-8,11H,6,9-10H2,1-5H3/b18-11+,19-14?
InChIKeyUGCCWVLFBFAWTL-QEYQCYAISA-N
MW325.84 g/mol
LogP3.53
Rot. Bonds8

About N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 173109798) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID173109798
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(OCC(CCl)=NOC)cc1C
InChIInChI=1S/C16H24ClN3O2/c1-6-20(4)11-18-15-7-13(3)16(8-12(15)2)22-10-14(9-17)19-21-5/h7-8,11H,6,9-10H2,1-5H3/b18-11+,19-14?
InChIKeyUGCCWVLFBFAWTL-QEYQCYAISA-N
XLogP3.53
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 9841322
N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
CID 11693263
N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 57379021
N'-{5-(difluoromethyl)-2-methyl-4-[3-(trimethylsilyl)propoxy]phenyl}-N-ethyl-N-methylimidoformamide
CID 58214434
N'-[2,5-dimethyl-4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-4-yl]oxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 59602821
N'-[2,5-dimethyl-4-[3-(2,2,2-trifluoro-1-methoxyethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68467262
N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide
CID 68587224
N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68589584
N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589665
N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589906
N'-[4-(3,5-difluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
CID 68589912
N'-[4-(3,4-difluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68590564

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 173109798) is N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(OCC(CCl)=NOC)cc1C.
What is the InChIKey of N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UGCCWVLFBFAWTL-QEYQCYAISA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-6-20(4)11-18-15-7-13(3)16(8-12(15)2)22-10-14(9-17)19-21-5/h7-8,11H,6,9-10H2,1-5H3/b18-11+,19-14?.
What are the key properties of N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 325.84 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-chloro-2-methoxyiminopropoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 173109798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).