methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate

C14H19Cl2NO2 — CID 65315876

IUPACmethyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)6-13(14(18)19-3)17-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,17H,6,8H2,1-3H3
InChIKeyMROXQOLBZQIWQV-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.67
Rot. Bonds6

About methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate

methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate (PubChem CID 65315876) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate
PubChem CID65315876
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Namemethyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-9(2)6-13(14(18)19-3)17-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,17H,6,8H2,1-3H3
InChIKeyMROXQOLBZQIWQV-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoic acid
CID 120511304
methyl 2-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentanoate
CID 103275372
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
methyl 2-[(3,4-dichlorophenyl)methylamino]-4-methylpentanoate
CID 43230623
methyl 2-[1-(2,5-dichlorophenyl)ethylamino]-4-methylpentanoate
CID 43688973
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
2-[(5-chloro-2-fluorophenyl)methylamino]-N,4-dimethylpentanamide
CID 115762137
methyl (2R)-2-[(2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 101125242
2-[(2,5-dichlorophenyl)methylamino]pentanoic acid
CID 65316981
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144
methyl 2-bromo-3-[(2,5-dichlorophenyl)methylamino]propanoate
CID 103492200
methyl 2-[(5-chlorofuran-2-yl)methylamino]-4-methylpentanoate
CID 60780311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate (CID 65315876) is methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate?
The InChIKey is MROXQOLBZQIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-9(2)6-13(14(18)19-3)17-8-10-7-11(15)4-5-12(10)16/h4-5,7,9,13,17H,6,8H2,1-3H3.
What are the key properties of methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate?
methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate has a molecular weight of 304.22 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoate is sourced from PubChem (CID 65315876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).