ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate

C14H22N2O3 — CID 61307433

IUPACethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
SMILESCCOC(=O)c1cc(OCCCN(C)C)ccc1N
InChIInChI=1S/C14H22N2O3/c1-4-18-14(17)12-10-11(6-7-13(12)15)19-9-5-8-16(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyJSKAAGUDUJBHGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.78
Rot. Bonds7

About ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate

ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate (PubChem CID 61307433) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
PubChem CID61307433
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
SMILESCCOC(=O)c1cc(OCCCN(C)C)ccc1N
InChIInChI=1S/C14H22N2O3/c1-4-18-14(17)12-10-11(6-7-13(12)15)19-9-5-8-16(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3
InChIKeyJSKAAGUDUJBHGD-UHFFFAOYSA-N
XLogP1.78
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2-amino-5-(4-methoxy-4-oxobutoxy)benzoate
CID 63997339
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
ethyl 7-bromo-3-[2-(dimethylamino)ethoxy]naphthalene-2-carboxylate
CID 18476177
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
methyl 2-amino-5-[4-[2-(dimethylamino)ethoxy]phenyl]benzoate
CID 82572923
diethyl 2,5-dibutoxybenzene-1,4-dicarboxylate
CID 639937
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518
2-amino-5-propoxybenzoic acid
CID 12719187

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate?
The IUPAC name of ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate (CID 61307433) is ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate.
What is the SMILES notation for ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate?
The canonical SMILES for ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate is CCOC(=O)c1cc(OCCCN(C)C)ccc1N.
What is the InChIKey of ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate?
The InChIKey is JSKAAGUDUJBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-18-14(17)12-10-11(6-7-13(12)15)19-9-5-8-16(2)3/h6-7,10H,4-5,8-9,15H2,1-3H3.
What are the key properties of ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate?
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate has a molecular weight of 266.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate is sourced from PubChem (CID 61307433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).