methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate

C19H22ClNO4 — CID 59025490

IUPACmethyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1C(CN)c1cccc(OC)c1OC
InChIInChI=1S/C19H22ClNO4/c1-23-17-6-4-5-14(19(17)25-3)16(11-21)15-10-13(20)8-7-12(15)9-18(22)24-2/h4-8,10,16H,9,11,21H2,1-3H3
InChIKeyZFYPJFCZIZOISB-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.16
Rot. Bonds7

About methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate

methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate (PubChem CID 59025490) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate
PubChem CID59025490
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Namemethyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1C(CN)c1cccc(OC)c1OC
InChIInChI=1S/C19H22ClNO4/c1-23-17-6-4-5-14(19(17)25-3)16(11-21)15-10-13(20)8-7-12(15)9-18(22)24-2/h4-8,10,16H,9,11,21H2,1-3H3
InChIKeyZFYPJFCZIZOISB-UHFFFAOYSA-N
XLogP3.16
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
N-(4-chlorophenyl)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 65384896
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
CID 113425500
N-[4-chloro-2-[(R)-(2,3-dimethoxyphenyl)-hydroxymethyl]phenyl]-2,2-dimethylpropanamide
CID 11728565
methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
(2,3-dimethoxyphenyl) 3-aminopropanoate
CID 94259654
[(4-chloro-2-fluorophenyl)-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 105328431
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
1-[(5-chloro-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4007613

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate?
The IUPAC name of methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate (CID 59025490) is methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate.
What is the SMILES notation for methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate?
The canonical SMILES for methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate is COC(=O)Cc1ccc(Cl)cc1C(CN)c1cccc(OC)c1OC.
What is the InChIKey of methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate?
The InChIKey is ZFYPJFCZIZOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-23-17-6-4-5-14(19(17)25-3)16(11-21)15-10-13(20)8-7-12(15)9-18(22)24-2/h4-8,10,16H,9,11,21H2,1-3H3.
What are the key properties of methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate?
methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate has a molecular weight of 363.84 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-amino-1-(2,3-dimethoxyphenyl)ethyl]-4-chlorophenyl]acetate is sourced from PubChem (CID 59025490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).