[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride

C13H20ClN2O3- — CID 53313579

IUPAC[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride
SMILESCOc1ccc(OC(=O)N(C)C)c(CN(C)C)c1.[Cl-]
InChIInChI=1S/C13H20N2O3.ClH/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4;/h6-8H,9H2,1-5H3;1H/p-1
InChIKeyNKLTWVHCFCTQFU-UHFFFAOYSA-M
MW287.77 g/mol
LogP-1.18
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride

[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride (PubChem CID 53313579) has the molecular formula C13H20ClN2O3- and a molecular weight of 287.77 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride
PubChem CID53313579
Molecular FormulaC13H20ClN2O3-
Molecular Weight287.77 g/mol
Exact Mass287.12
IUPAC Name[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride
SMILESCOc1ccc(OC(=O)N(C)C)c(CN(C)C)c1.[Cl-]
InChIInChI=1S/C13H20N2O3.ClH/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4;/h6-8H,9H2,1-5H3;1H/p-1
InChIKeyNKLTWVHCFCTQFU-UHFFFAOYSA-M
XLogP-1.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(dimethylcarbamoyloxy)-5-methoxyphenyl]methyl-dimethylazanium
CID 1384360
(2-hydroxy-4-methoxyphenyl) N,N-dimethylcarbamate
CID 125485691
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
N-[(2,5-dimethoxyphenyl)methyl]-N-methyl-3-sulfanylpropanamide
CID 115167920
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone
CID 135337033
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 39355922

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride?
The IUPAC name of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride (CID 53313579) is [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride is COc1ccc(OC(=O)N(C)C)c(CN(C)C)c1.[Cl-].
What is the InChIKey of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride?
The InChIKey is NKLTWVHCFCTQFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-14(2)9-10-8-11(17-5)6-7-12(10)18-13(16)15(3)4;/h6-8H,9H2,1-5H3;1H/p-1.
What are the key properties of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride?
[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride has a molecular weight of 287.77 g/mol, XLogP of -1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate chloride is sourced from PubChem (CID 53313579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).