[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride

C11H17ClN2O2 — CID 138400728

IUPAC[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CN(C)C)cc1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-12-11(14)15-10-6-4-9(5-7-10)8-13(2)3;/h4-7H,8H2,1-3H3,(H,12,14);1H
InChIKeyLLJORSYIDJJSNV-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.89
Rot. Bonds3

About [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride

[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride (PubChem CID 138400728) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
PubChem CID138400728
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)Oc1ccc(CN(C)C)cc1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-12-11(14)15-10-6-4-9(5-7-10)8-13(2)3;/h4-7H,8H2,1-3H3,(H,12,14);1H
InChIKeyLLJORSYIDJJSNV-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]phosphanium
CID 6332717
[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl] N-hydroxycarbamate
CID 46861935
[4-(difluoromethoxy)phenyl] N-methylcarbamate
CID 165349276
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703369
[4-(carbamoylamino)phenyl] N-methylcarbamate
CID 134123032
[4-[3-(N-methylanilino)propoxy]phenyl] N-methylcarbamate
CID 169013825
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride (CID 138400728) is [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride is CNC(=O)Oc1ccc(CN(C)C)cc1.Cl.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride?
The InChIKey is LLJORSYIDJJSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-12-11(14)15-10-6-4-9(5-7-10)8-13(2)3;/h4-7H,8H2,1-3H3,(H,12,14);1H.
What are the key properties of [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride?
[4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl] N-methylcarbamate;hydrochloride is sourced from PubChem (CID 138400728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).