[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride

C12H18Cl2N2O2 — CID 44659026

IUPAC[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride
SMILESCN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl.[Cl-]
InChIInChI=1S/C12H17ClN2O2.ClH/c1-14(2)8-9-5-6-11(10(13)7-9)17-12(16)15(3)4;/h5-7H,8H2,1-4H3;1H
InChIKeyMCIVNRBKVQWGHX-UHFFFAOYSA-N
MW293.19 g/mol
LogP-1.95
Rot. Bonds3

About [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride

[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride (PubChem CID 44659026) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride.

Molecular Properties

Compound Name[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride
PubChem CID44659026
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride
SMILESCN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl.[Cl-]
InChIInChI=1S/C12H17ClN2O2.ClH/c1-14(2)8-9-5-6-11(10(13)7-9)17-12(16)15(3)4;/h5-7H,8H2,1-4H3;1H
InChIKeyMCIVNRBKVQWGHX-UHFFFAOYSA-N
XLogP-1.95
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium
CID 3593090
propan-2-yl (2S)-2-amino-3-[3-chloro-4-(dimethylcarbamoyloxy)phenyl]propanoate
CID 141006180
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
CID 62706612
3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039
(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate
CID 141398917
1-[(3-chloro-4-ethoxyphenyl)methyl]-1,3-dimethylurea
CID 115169236
[2-chloro-4-[(4-methylphenyl)methylsulfanylmethyl]phenyl] methyl carbonate
CID 139630077
2-(3-chloro-4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844806
(2S)-3-[3-chloro-4-(dimethylcarbamoyloxy)phenyl]-2-[[(2S)-4,4-dimethyl-1,3-thiazolidine-2-carbonyl]-(4-fluorophenyl)sulfonylamino]propanoic acid
CID 20789966

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride?
The IUPAC name of [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride (CID 44659026) is [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride.
What is the SMILES notation for [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride?
The canonical SMILES for [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride is CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl.[Cl-].
What is the InChIKey of [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride?
The InChIKey is MCIVNRBKVQWGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-14(2)8-9-5-6-11(10(13)7-9)17-12(16)15(3)4;/h5-7H,8H2,1-4H3;1H.
What are the key properties of [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride?
[3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride has a molecular weight of 293.19 g/mol, XLogP of -1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(dimethylcarbamoyloxy)phenyl]methyl-dimethylazanium chloride is sourced from PubChem (CID 44659026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).