(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride

C11H17ClN2O3 — CID 45259199

IUPAC(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
SMILESCOc1ccc(OC(=O)N(C)CCN)cc1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-13(8-7-12)11(14)16-10-5-3-9(15-2)4-6-10;/h3-6H,7-8,12H2,1-2H3;1H
InChIKeyQWGDDVHXLJTSMS-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.51
Rot. Bonds4

About (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride

(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride (PubChem CID 45259199) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
PubChem CID45259199
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
SMILESCOc1ccc(OC(=O)N(C)CCN)cc1.Cl
InChIInChI=1S/C11H16N2O3.ClH/c1-13(8-7-12)11(14)16-10-5-3-9(15-2)4-6-10;/h3-6H,7-8,12H2,1-2H3;1H
InChIKeyQWGDDVHXLJTSMS-UHFFFAOYSA-N
XLogP1.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 69379640
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83823724
[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 118595720
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
(3,5-dimethoxyphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819944
phenyl N-butyl-N-methylcarbamate
CID 564973

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride?
The IUPAC name of (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride (CID 45259199) is (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride.
What is the SMILES notation for (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride?
The canonical SMILES for (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride is COc1ccc(OC(=O)N(C)CCN)cc1.Cl.
What is the InChIKey of (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride?
The InChIKey is QWGDDVHXLJTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.ClH/c1-13(8-7-12)11(14)16-10-5-3-9(15-2)4-6-10;/h3-6H,7-8,12H2,1-2H3;1H.
What are the key properties of (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride?
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride has a molecular weight of 260.72 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 45259199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).