ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate

C15H22N2O2 — CID 55256946

IUPACethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(C)CC1CC1C
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)13-8-12(16)5-6-14(13)17(3)9-11-7-10(11)2/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyPLYLCHQWDNQWKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds5

About ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate

ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate (PubChem CID 55256946) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
PubChem CID55256946
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1N(C)CC1CC1C
InChIInChI=1S/C15H22N2O2/c1-4-19-15(18)13-8-12(16)5-6-14(13)17(3)9-11-7-10(11)2/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyPLYLCHQWDNQWKI-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate?
The IUPAC name of ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate (CID 55256946) is ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate is CCOC(=O)c1cc(N)ccc1N(C)CC1CC1C.
What is the InChIKey of ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate?
The InChIKey is PLYLCHQWDNQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-15(18)13-8-12(16)5-6-14(13)17(3)9-11-7-10(11)2/h5-6,8,10-11H,4,7,9,16H2,1-3H3.
What are the key properties of ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate?
ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[methyl-[(2-methylcyclopropyl)methyl]amino]benzoate is sourced from PubChem (CID 55256946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).