(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate

C10H13ClN2O2 — CID 83823725

IUPAC(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-12-6-7-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyYDWILZXNPMESPK-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.65
Rot. Bonds4

About (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate

(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate (PubChem CID 83823725) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
PubChem CID83823725
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-12-6-7-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyYDWILZXNPMESPK-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl) N-(2-oxoethyl)carbamate
CID 83821380
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2,6-dimethylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83822836
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684
(2-methylphenyl) N-[6-[(2-methylphenoxy)carbonylamino]hexyl]carbamate
CID 4683579
(2-chlorophenyl) N-ethenylcarbamate
CID 71409284
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
(2-ethylphenyl) N-propylcarbamate
CID 127559161
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate (CID 83823725) is (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate?
The InChIKey is YDWILZXNPMESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-12-6-7-13-10(14)15-9-5-3-2-4-8(9)11/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate?
(2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate has a molecular weight of 228.68 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 83823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).