methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate

C14H20N2O2 — CID 82796178

IUPACmethyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate
SMILESCCN(CC1CC1)c1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H20N2O2/c1-3-16(9-10-4-5-10)13-8-11(14(17)18-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyHCAAXNHEYLPHKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds5

About methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate

methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate (PubChem CID 82796178) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate
PubChem CID82796178
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate
SMILESCCN(CC1CC1)c1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H20N2O2/c1-3-16(9-10-4-5-10)13-8-11(14(17)18-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyHCAAXNHEYLPHKA-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
methyl 4-amino-3-(dibutylamino)benzoate
CID 82785041
ethyl 4-amino-3-[cyclopropylmethyl(methyl)amino]benzoate
CID 82785823
methyl 4-amino-3-[bis(2-hydroxyethyl)amino]benzoate
CID 82786040
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
methyl 3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103939
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
methyl 4-amino-3-(dimethylamino)benzoate;hydrochloride
CID 75525893
methyl 4-amino-3-[cycloheptyl(methyl)amino]benzoate
CID 82785545
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
methyl 3-amino-4-[ethyl(2-ethylbutyl)amino]benzoate
CID 61437988
methyl 4-amino-3-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 82785013

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate?
The IUPAC name of methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate (CID 82796178) is methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate.
What is the SMILES notation for methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate?
The canonical SMILES for methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate is CCN(CC1CC1)c1cc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate?
The InChIKey is HCAAXNHEYLPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(9-10-4-5-10)13-8-11(14(17)18-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3.
What are the key properties of methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate?
methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate has a molecular weight of 248.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[cyclopropylmethyl(ethyl)amino]benzoate is sourced from PubChem (CID 82796178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).