2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid

C12H16ClNO3 — CID 82483238

IUPAC2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H16ClNO3/c1-6-5-8(17-4)9(7(2)10(6)13)11(14-3)12(15)16/h5,11,14H,1-4H3,(H,15,16)
InChIKeyNXMFTXCXCVVRIN-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.31
Rot. Bonds4

About 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid

2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid (PubChem CID 82483238) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
PubChem CID82483238
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1c(OC)cc(C)c(Cl)c1C
InChIInChI=1S/C12H16ClNO3/c1-6-5-8(17-4)9(7(2)10(6)13)11(14-3)12(15)16/h5,11,14H,1-4H3,(H,15,16)
InChIKeyNXMFTXCXCVVRIN-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82300220
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylethanamine
CID 116952629
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
2-(2-chloro-6-methoxyphenyl)-2-(methylamino)acetic acid
CID 104816514
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
3-chloro-6-methoxy-N',2,4-trimethylbenzohydrazide
CID 116846890
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)propane-1,3-diol
CID 82294523
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)propanoic acid
CID 117400574
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutanethioamide
CID 83938124
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid (CID 82483238) is 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1c(OC)cc(C)c(Cl)c1C.
What is the InChIKey of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid?
The InChIKey is NXMFTXCXCVVRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-6-5-8(17-4)9(7(2)10(6)13)11(14-3)12(15)16/h5,11,14H,1-4H3,(H,15,16).
What are the key properties of 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid?
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid has a molecular weight of 257.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 82483238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).