ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate

C14H20ClNO3 — CID 3504992

IUPACethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-5-14(16,13(17)19-6-2)10-8-11(15)9(3)7-12(10)18-4/h7-8H,5-6,16H2,1-4H3
InChIKeyYUSNWJDJTUKCCB-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate

ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate (PubChem CID 3504992) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
PubChem CID3504992
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate
SMILESCCOC(=O)C(N)(CC)c1cc(Cl)c(C)cc1OC
InChIInChI=1S/C14H20ClNO3/c1-5-14(16,13(17)19-6-2)10-8-11(15)9(3)7-12(10)18-4/h7-8H,5-6,16H2,1-4H3
InChIKeyYUSNWJDJTUKCCB-UHFFFAOYSA-N
XLogP2.78
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
2-(5-chloro-2-methoxy-4-methylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 112519808
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate
CID 3914425
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
ethyl 3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62397793
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
ethyl 2-(3-chloro-4-methylphenyl)-2-methylpropanoate
CID 105426730
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
CID 82477650
4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116916588
3-(5-chloro-2-ethoxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117462479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate?
The IUPAC name of ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate (CID 3504992) is ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate.
What is the SMILES notation for ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate?
The canonical SMILES for ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate is CCOC(=O)C(N)(CC)c1cc(Cl)c(C)cc1OC.
What is the InChIKey of ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate?
The InChIKey is YUSNWJDJTUKCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-14(16,13(17)19-6-2)10-8-11(15)9(3)7-12(10)18-4/h7-8H,5-6,16H2,1-4H3.
What are the key properties of ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate?
ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate has a molecular weight of 285.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(5-chloro-2-methoxy-4-methylphenyl)butanoate is sourced from PubChem (CID 3504992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).