2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide

C12H17ClN2O2 — CID 115151633

IUPAC2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1c(C)cc(Cl)cc1CN(C)C(=O)CN
InChIInChI=1S/C12H17ClN2O2/c1-8-4-10(13)5-9(12(8)17-3)7-15(2)11(16)6-14/h4-5H,6-7,14H2,1-3H3
InChIKeyRZPSVNLGEYHIFU-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide

2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide (PubChem CID 115151633) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
PubChem CID115151633
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1c(C)cc(Cl)cc1CN(C)C(=O)CN
InChIInChI=1S/C12H17ClN2O2/c1-8-4-10(13)5-9(12(8)17-3)7-15(2)11(16)6-14/h4-5H,6-7,14H2,1-3H3
InChIKeyRZPSVNLGEYHIFU-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193766
(5-chloro-2-methoxy-3-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170136
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
4-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylbutanamide
CID 115155361
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
(E)-4-(5-chloro-2-methoxy-3-methylphenyl)but-2-enoic acid
CID 116866029

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide (CID 115151633) is 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide is COc1c(C)cc(Cl)cc1CN(C)C(=O)CN.
What is the InChIKey of 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is RZPSVNLGEYHIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-4-10(13)5-9(12(8)17-3)7-15(2)11(16)6-14/h4-5H,6-7,14H2,1-3H3.
What are the key properties of 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide?
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115151633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).