methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate

C16H24N2O3 — CID 115545540

IUPACmethyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
SMILESCOCCN(c1cccc(C(=O)OC)c1N)C(C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-11(12-7-8-12)18(9-10-20-2)14-6-4-5-13(15(14)17)16(19)21-3/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyXGKBWHKZYZWPHY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds7

About methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate

methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate (PubChem CID 115545540) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
PubChem CID115545540
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
SMILESCOCCN(c1cccc(C(=O)OC)c1N)C(C)C1CC1
InChIInChI=1S/C16H24N2O3/c1-11(12-7-8-12)18(9-10-20-2)14-6-4-5-13(15(14)17)16(19)21-3/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyXGKBWHKZYZWPHY-UHFFFAOYSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
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

2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbenzoic acid
CID 107112105
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylbenzamide
CID 61108147
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
2-(2-aminopropyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63815654
2-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 114879593
methyl 2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]benzoate
CID 103190547
2-chloro-6-[1-cyclopropylethyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944970
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate?
The IUPAC name of methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate (CID 115545540) is methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate.
What is the SMILES notation for methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate?
The canonical SMILES for methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate is COCCN(c1cccc(C(=O)OC)c1N)C(C)C1CC1.
What is the InChIKey of methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate?
The InChIKey is XGKBWHKZYZWPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(12-7-8-12)18(9-10-20-2)14-6-4-5-13(15(14)17)16(19)21-3/h4-6,11-12H,7-10,17H2,1-3H3.
What are the key properties of methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate?
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate has a molecular weight of 292.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate is sourced from PubChem (CID 115545540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).