methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate

C14H23N3O2 — CID 82791044

IUPACmethyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
SMILESCCN(CC)CCNc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H23N3O2/c1-4-17(5-2)9-8-16-13-10-11(14(18)19-3)6-7-12(13)15/h6-7,10,16H,4-5,8-9,15H2,1-3H3
InChIKeyYWRVMPXDQHHZBC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds7

About methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate

methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate (PubChem CID 82791044) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
PubChem CID82791044
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
SMILESCCN(CC)CCNc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H23N3O2/c1-4-17(5-2)9-8-16-13-10-11(14(18)19-3)6-7-12(13)15/h6-7,10,16H,4-5,8-9,15H2,1-3H3
InChIKeyYWRVMPXDQHHZBC-UHFFFAOYSA-N
XLogP1.81
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
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-[3-(dimethylamino)propylamino]benzoate
CID 82785034
methyl 4-amino-3-(octylamino)benzoate
CID 82796381
methyl 4-amino-3-(hexylamino)benzoate
CID 82796460
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate
CID 114943924
ethyl 3-amino-4-[3-(diethylamino)propylamino]benzoate
CID 61306021
methyl 4-amino-3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoate
CID 114167698
methyl 4-amino-3-[[(2R)-2-methoxypropyl]amino]benzoate
CID 169160430
methyl 4-amino-3-[2-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 82796444
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
ethyl 4-amino-3-[2-(2-amino-2-oxoethoxy)ethylamino]benzoate
CID 106240841
methyl 4-amino-3-(3-methylpentan-2-ylamino)benzoate
CID 82785073

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate?
The IUPAC name of methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate (CID 82791044) is methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate.
What is the SMILES notation for methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate?
The canonical SMILES for methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate is CCN(CC)CCNc1cc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate?
The InChIKey is YWRVMPXDQHHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(5-2)9-8-16-13-10-11(14(18)19-3)6-7-12(13)15/h6-7,10,16H,4-5,8-9,15H2,1-3H3.
What are the key properties of methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate?
methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate has a molecular weight of 265.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate is sourced from PubChem (CID 82791044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).