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

C13H21ClN2O3 — CID 2912029

IUPAC[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride
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
InChIKeyNKLTWVHCFCTQFU-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.24
Rot. Bonds4

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

[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride (PubChem CID 2912029) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride
PubChem CID2912029
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride
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
InChIKeyNKLTWVHCFCTQFU-UHFFFAOYSA-N
XLogP2.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 127048257

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride (CID 2912029) is [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride 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;hydrochloride?
The InChIKey is NKLTWVHCFCTQFU-UHFFFAOYSA-N. 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.
What are the key properties of [2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride?
[2-[(dimethylamino)methyl]-4-methoxyphenyl] N,N-dimethylcarbamate;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 2.24, 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;hydrochloride is sourced from PubChem (CID 2912029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).