ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate

C14H21ClN2O2 — CID 107466129

IUPACethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2/c1-4-6-12(14(18)19-5-2)17(3)13-9-10(15)7-8-11(13)16/h7-9,12H,4-6,16H2,1-3H3
InChIKeyHMAJHLIIFOTRNY-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.09
Rot. Bonds6

About ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate

ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate (PubChem CID 107466129) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
PubChem CID107466129
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
SMILESCCCC(C(=O)OCC)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2O2/c1-4-6-12(14(18)19-5-2)17(3)13-9-10(15)7-8-11(13)16/h7-9,12H,4-6,16H2,1-3H3
InChIKeyHMAJHLIIFOTRNY-UHFFFAOYSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.09
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

2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
ethyl 2-[(3-chlorophenyl)methyl-methylamino]pentanoate
CID 78994299
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
CID 107466016
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl 2-(5-chloro-2-fluorobenzoyl)pentanoate
CID 114887658
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 107465671
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate?
The IUPAC name of ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate (CID 107466129) is ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate.
What is the SMILES notation for ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate?
The canonical SMILES for ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate is CCCC(C(=O)OCC)N(C)c1cc(Cl)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate?
The InChIKey is HMAJHLIIFOTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-6-12(14(18)19-5-2)17(3)13-9-10(15)7-8-11(13)16/h7-9,12H,4-6,16H2,1-3H3.
What are the key properties of ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate?
ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate has a molecular weight of 284.79 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate is sourced from PubChem (CID 107466129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).