ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate

C15H21Cl2NO2 — CID 62932808

IUPACethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
SMILESCCOC(=O)CC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2NO2/c1-4-20-14(19)9-15(2,3)8-13(18)10-5-6-11(16)12(17)7-10/h5-7,13H,4,8-9,18H2,1-3H3
InChIKeyRCCBFDFEUYOPQA-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.36
Rot. Bonds6

About ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate

ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate (PubChem CID 62932808) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
PubChem CID62932808
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Nameethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate
SMILESCCOC(=O)CC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2NO2/c1-4-20-14(19)9-15(2,3)8-13(18)10-5-6-11(16)12(17)7-10/h5-7,13H,4,8-9,18H2,1-3H3
InChIKeyRCCBFDFEUYOPQA-UHFFFAOYSA-N
XLogP4.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-3,3-dimethyl-5-(4-propylphenyl)pentanoate
CID 62935026
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
ethyl (3R)-3-amino-3-(4-chloro-3-methoxyphenyl)propanoate
CID 171211149
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
ethyl 3-[1-(3,4-dichlorophenyl)ethylamino]propanoate
CID 60647930
methyl 5-amino-5-(4-iodophenyl)-3,3-dimethylpentanoate
CID 62932802
ethyl 2-(3,4-dichlorophenyl)-4-methylpentanoate
CID 46220930
methyl 5-amino-5-(4-methoxyphenyl)-3,3-dimethylpentanoate
CID 62934351

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate?
The IUPAC name of ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate (CID 62932808) is ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate.
What is the SMILES notation for ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate?
The canonical SMILES for ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate is CCOC(=O)CC(C)(C)CC(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate?
The InChIKey is RCCBFDFEUYOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-4-20-14(19)9-15(2,3)8-13(18)10-5-6-11(16)12(17)7-10/h5-7,13H,4,8-9,18H2,1-3H3.
What are the key properties of ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate?
ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate has a molecular weight of 318.24 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-5-(3,4-dichlorophenyl)-3,3-dimethylpentanoate is sourced from PubChem (CID 62932808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).