(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate

C10H13ClN2O2 — CID 83823724

IUPAC(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
SMILESCN(CCN)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,6-7,12H2,1H3
InChIKeyJFYXPTZGAVCRTG-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.73
Rot. Bonds3

About (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate

(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate (PubChem CID 83823724) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
PubChem CID83823724
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
SMILESCN(CCN)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,6-7,12H2,1H3
InChIKeyJFYXPTZGAVCRTG-UHFFFAOYSA-N
XLogP1.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl) 3-aminopropanoate
CID 82112337
2-[(2-chlorophenoxy)carbonyl-methylamino]ethyl 4-nitrobenzoate
CID 134123106
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate
CID 144705758
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
(2-methoxy-4-methylphenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83824605
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-[3-(2-chlorophenoxy)propanoyl-methylamino]propanoic acid
CID 60988513
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate?
The IUPAC name of (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate (CID 83823724) is (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate.
What is the SMILES notation for (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate?
The canonical SMILES for (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate is CN(CCN)C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate?
The InChIKey is JFYXPTZGAVCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(7-6-12)10(14)15-9-5-3-2-4-8(9)11/h2-5H,6-7,12H2,1H3.
What are the key properties of (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate?
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate has a molecular weight of 228.68 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate is sourced from PubChem (CID 83823724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).