methanamine;methyl 3-chloro-4-ethoxybenzoate

C11H16ClNO3 — CID 23512246

IUPACmethanamine;methyl 3-chloro-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC)cc1Cl.CN
InChIInChI=1S/C10H11ClO3.CH5N/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2;1-2/h4-6H,3H2,1-2H3;2H2,1H3
InChIKeyLFMUOMYPKANIDD-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.10
Rot. Bonds3

About methanamine;methyl 3-chloro-4-ethoxybenzoate

methanamine;methyl 3-chloro-4-ethoxybenzoate (PubChem CID 23512246) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methanamine;methyl 3-chloro-4-ethoxybenzoate.

Molecular Properties

Compound Namemethanamine;methyl 3-chloro-4-ethoxybenzoate
PubChem CID23512246
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethanamine;methyl 3-chloro-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC)cc1Cl.CN
InChIInChI=1S/C10H11ClO3.CH5N/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2;1-2/h4-6H,3H2,1-2H3;2H2,1H3
InChIKeyLFMUOMYPKANIDD-UHFFFAOYSA-N
XLogP2.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-bromoethoxy)-3-chlorobenzoate
CID 54595805
methyl 4-ethoxy-3-propan-2-ylbenzoate
CID 82554090
3-chloro-4-ethoxybenzoate
CID 6927202
ethyl 2-(3-chloro-4-ethoxyphenyl)-2-oxoacetate
CID 91634042
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
CID 82287879
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
methyl 4-(3-chloro-4-ethoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 74711708
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
CID 112512675
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
methyl 4-(3-chloro-4-ethoxybenzoyl)piperazine-1-carboxylate
CID 110803291

Frequently Asked Questions

What is the IUPAC name of methanamine;methyl 3-chloro-4-ethoxybenzoate?
The IUPAC name of methanamine;methyl 3-chloro-4-ethoxybenzoate (CID 23512246) is methanamine;methyl 3-chloro-4-ethoxybenzoate.
What is the SMILES notation for methanamine;methyl 3-chloro-4-ethoxybenzoate?
The canonical SMILES for methanamine;methyl 3-chloro-4-ethoxybenzoate is CCOc1ccc(C(=O)OC)cc1Cl.CN.
What is the InChIKey of methanamine;methyl 3-chloro-4-ethoxybenzoate?
The InChIKey is LFMUOMYPKANIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.CH5N/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2;1-2/h4-6H,3H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;methyl 3-chloro-4-ethoxybenzoate?
methanamine;methyl 3-chloro-4-ethoxybenzoate has a molecular weight of 245.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methyl 3-chloro-4-ethoxybenzoate is sourced from PubChem (CID 23512246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).