methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate

C14H20N2O3 — CID 82785230

IUPACmethyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
SMILESCOCCN(c1cc(C(=O)OC)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O3/c1-18-8-7-16(11-4-5-11)13-9-10(14(17)19-2)3-6-12(13)15/h3,6,9,11H,4-5,7-8,15H2,1-2H3
InChIKeyIMYJNNQERIPUHA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds6

About methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate

methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate (PubChem CID 82785230) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
PubChem CID82785230
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
SMILESCOCCN(c1cc(C(=O)OC)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O3/c1-18-8-7-16(11-4-5-11)13-9-10(14(17)19-2)3-6-12(13)15/h3,6,9,11H,4-5,7-8,15H2,1-2H3
InChIKeyIMYJNNQERIPUHA-UHFFFAOYSA-N
XLogP1.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-[cyclopropyl(3-methylbutyl)amino]benzoate
CID 82785994
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
methyl 4-amino-3-[3-methoxypropyl(methyl)amino]benzoate
CID 82795630
methyl 3-amino-4-[cyclobutyl(2-hydroxyethyl)amino]benzoate
CID 102868394
methyl 4-amino-3-[methyl-(4-methylcyclohexyl)amino]benzoate
CID 82785655
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
4-amino-3-[cyclopropyl(propyl)amino]benzamide
CID 55188930
4-amino-3-[cyclopropyl(3-methylbutyl)amino]-N-methylbenzamide
CID 78930092
methyl 4-amino-3-[cycloheptyl(methyl)amino]benzoate
CID 82785545
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
methyl 4-amino-3-[bis(2-hydroxyethyl)amino]benzoate
CID 82786040

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The IUPAC name of methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate (CID 82785230) is methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate.
What is the SMILES notation for methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The canonical SMILES for methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate is COCCN(c1cc(C(=O)OC)ccc1N)C1CC1.
What is the InChIKey of methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate?
The InChIKey is IMYJNNQERIPUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-8-7-16(11-4-5-11)13-9-10(14(17)19-2)3-6-12(13)15/h3,6,9,11H,4-5,7-8,15H2,1-2H3.
What are the key properties of methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate?
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate is sourced from PubChem (CID 82785230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).