methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride

C11H14Cl3NO2 — CID 75481381

IUPACmethyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
SMILESCNC(C)(C(=O)OC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO2.ClH/c1-11(14-2,10(15)16-3)7-4-5-8(12)9(13)6-7;/h4-6,14H,1-3H3;1H
InChIKeyNHHPCPFCWUOURG-UHFFFAOYSA-N
MW298.60 g/mol
LogP3.02
Rot. Bonds3

About methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride

methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride (PubChem CID 75481381) has the molecular formula C11H14Cl3NO2 and a molecular weight of 298.60 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
PubChem CID75481381
Molecular FormulaC11H14Cl3NO2
Molecular Weight298.60 g/mol
Exact Mass297.01
IUPAC Namemethyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
SMILESCNC(C)(C(=O)OC)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H13Cl2NO2.ClH/c1-11(14-2,10(15)16-3)7-4-5-8(12)9(13)6-7;/h4-6,14H,1-3H3;1H
InChIKeyNHHPCPFCWUOURG-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
methyl 2-[4-(dimethylamino)phenyl]-2-(methylamino)propanoate
CID 54880686
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
methyl (2R)-2-(3,4-dichlorophenyl)-2-methylpent-4-enoate
CID 135044392
methyl 2-anilino-2-(3-chloro-4-fluorophenyl)propanoate
CID 60990687
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride (CID 75481381) is methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride is CNC(C)(C(=O)OC)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride?
The InChIKey is NHHPCPFCWUOURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2.ClH/c1-11(14-2,10(15)16-3)7-4-5-8(12)9(13)6-7;/h4-6,14H,1-3H3;1H.
What are the key properties of methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride?
methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride has a molecular weight of 298.60 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 75481381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).