2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide

C14H23ClN2O4Si — CID 169368917

IUPAC2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide
SMILESCO[Si](CCCOc1cccc(/N=C(/N)CCl)c1)(OC)OC
InChIInChI=1S/C14H23ClN2O4Si/c1-18-22(19-2,20-3)9-5-8-21-13-7-4-6-12(10-13)17-14(16)11-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H2,16,17)
InChIKeyIHKNHJWSWINYJH-UHFFFAOYSA-N
MW346.89 g/mol
LogP2.56
Rot. Bonds10

About 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide

2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide (PubChem CID 169368917) has the molecular formula C14H23ClN2O4Si and a molecular weight of 346.89 g/mol. Its IUPAC name is 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide
PubChem CID169368917
Molecular FormulaC14H23ClN2O4Si
Molecular Weight346.89 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide
SMILESCO[Si](CCCOc1cccc(/N=C(/N)CCl)c1)(OC)OC
InChIInChI=1S/C14H23ClN2O4Si/c1-18-22(19-2,20-3)9-5-8-21-13-7-4-6-12(10-13)17-14(16)11-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H2,16,17)
InChIKeyIHKNHJWSWINYJH-UHFFFAOYSA-N
XLogP2.56
TPSA75.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[3-(2-methoxyethoxy)phenyl]ethanimidamide
CID 169366194
2-chloro-N'-(3-prop-2-ynoxyphenyl)ethanimidamide
CID 169368538
2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
CID 169366388
2-chloro-N'-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]ethanimidamide
CID 169366543
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
3-[(1-amino-2-chloroethylidene)amino]-N-ethylbenzamide
CID 169365696
2-(4-fluorophenoxy)ethyl N'-(3-methoxyphenyl)carbamimidothioate
CID 8776447
2-chloro-N'-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanimidamide
CID 169368208
2-(3-methoxyphenyl)guanidine;nitrous acid
CID 86595100
N-[3-[(1-amino-2-chloroethylidene)amino]phenyl]-N-methylacetamide
CID 169365647
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
1-butyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111061369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide (CID 169368917) is 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide is CO[Si](CCCOc1cccc(/N=C(/N)CCl)c1)(OC)OC.
What is the InChIKey of 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide?
The InChIKey is IHKNHJWSWINYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4Si/c1-18-22(19-2,20-3)9-5-8-21-13-7-4-6-12(10-13)17-14(16)11-15/h4,6-7,10H,5,8-9,11H2,1-3H3,(H2,16,17).
What are the key properties of 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide?
2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide has a molecular weight of 346.89 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(3-trimethoxysilylpropoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169368917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).