methyl 2-methoxy-4-(2-methylpropylamino)benzoate

C13H19NO3 — CID 83295320

IUPACmethyl 2-methoxy-4-(2-methylpropylamino)benzoate
SMILESCOC(=O)c1ccc(NCC(C)C)cc1OC
InChIInChI=1S/C13H19NO3/c1-9(2)8-14-10-5-6-11(13(15)17-4)12(7-10)16-3/h5-7,9,14H,8H2,1-4H3
InChIKeyMUONLJAXASIUIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.55
Rot. Bonds5

About methyl 2-methoxy-4-(2-methylpropylamino)benzoate

methyl 2-methoxy-4-(2-methylpropylamino)benzoate (PubChem CID 83295320) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-methoxy-4-(2-methylpropylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(2-methylpropylamino)benzoate
PubChem CID83295320
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-methoxy-4-(2-methylpropylamino)benzoate
SMILESCOC(=O)c1ccc(NCC(C)C)cc1OC
InChIInChI=1S/C13H19NO3/c1-9(2)8-14-10-5-6-11(13(15)17-4)12(7-10)16-3/h5-7,9,14H,8H2,1-4H3
InChIKeyMUONLJAXASIUIZ-UHFFFAOYSA-N
XLogP2.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
CID 20765748
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
(2R)-1-(3,4-dimethoxyanilino)propan-2-ol
CID 39242812
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
methyl 4-acetamido-2-(3-methylbutoxy)benzoate
CID 44576528
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
2-chloro-4-(2-methylpropylamino)benzamide
CID 43736438
3-(4-bromo-3-methoxyanilino)-2-methylpropanoic acid
CID 82867283

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(2-methylpropylamino)benzoate?
The IUPAC name of methyl 2-methoxy-4-(2-methylpropylamino)benzoate (CID 83295320) is methyl 2-methoxy-4-(2-methylpropylamino)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(2-methylpropylamino)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(2-methylpropylamino)benzoate is COC(=O)c1ccc(NCC(C)C)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(2-methylpropylamino)benzoate?
The InChIKey is MUONLJAXASIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)8-14-10-5-6-11(13(15)17-4)12(7-10)16-3/h5-7,9,14H,8H2,1-4H3.
What are the key properties of methyl 2-methoxy-4-(2-methylpropylamino)benzoate?
methyl 2-methoxy-4-(2-methylpropylamino)benzoate has a molecular weight of 237.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(2-methylpropylamino)benzoate is sourced from PubChem (CID 83295320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).