3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide

C12H17ClN2O2 — CID 82499843

IUPAC3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
SMILESCOc1c(C)cc(Cl)cc1N(C)C(=O)CCN
InChIInChI=1S/C12H17ClN2O2/c1-8-6-9(13)7-10(12(8)17-3)15(2)11(16)4-5-14/h6-7H,4-5,14H2,1-3H3
InChIKeyVXPRLXBXYCFXOB-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide

3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide (PubChem CID 82499843) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
PubChem CID82499843
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide
SMILESCOc1c(C)cc(Cl)cc1N(C)C(=O)CCN
InChIInChI=1S/C12H17ClN2O2/c1-8-6-9(13)7-10(12(8)17-3)15(2)11(16)4-5-14/h6-7H,4-5,14H2,1-3H3
InChIKeyVXPRLXBXYCFXOB-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
N'-(5-chloro-2-methoxy-3-methylphenyl)-N'-methylbutane-1,4-diamine
CID 115201119
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
2-N-(5-chloro-2-methoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039901
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
3-(2-methoxy-N,3,5-trimethylanilino)-3-oxopropanoic acid
CID 115163317
3-(5-chloro-2-methoxy-N,3-dimethylanilino)propan-1-ol
CID 115216751
3-hydroxy-N-(4-methoxy-2,3,5-trimethylphenyl)-N-methylpropanamide
CID 115138882
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
2-(5-chloro-2-methoxy-N,3-dimethylanilino)ethanethiol
CID 115223816

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide (CID 82499843) is 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide is COc1c(C)cc(Cl)cc1N(C)C(=O)CCN.
What is the InChIKey of 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide?
The InChIKey is VXPRLXBXYCFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-6-9(13)7-10(12(8)17-3)15(2)11(16)4-5-14/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide?
3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methoxy-3-methylphenyl)-N-methylpropanamide is sourced from PubChem (CID 82499843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).