2-(3-amino-2-chlorophenyl)ethyl carbamate

C9H11ClN2O2 — CID 142788747

IUPAC2-(3-amino-2-chlorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1cccc(N)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-8-6(2-1-3-7(8)11)4-5-14-9(12)13/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyBQEJATTURHLJFQ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.56
Rot. Bonds3

About 2-(3-amino-2-chlorophenyl)ethyl carbamate

2-(3-amino-2-chlorophenyl)ethyl carbamate (PubChem CID 142788747) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(3-amino-2-chlorophenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(3-amino-2-chlorophenyl)ethyl carbamate
PubChem CID142788747
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-(3-amino-2-chlorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1cccc(N)c1Cl
InChIInChI=1S/C9H11ClN2O2/c10-8-6(2-1-3-7(8)11)4-5-14-9(12)13/h1-3H,4-5,11H2,(H2,12,13)
InChIKeyBQEJATTURHLJFQ-UHFFFAOYSA-N
XLogP1.56
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-chlorophenyl)ethyl carbamate?
The IUPAC name of 2-(3-amino-2-chlorophenyl)ethyl carbamate (CID 142788747) is 2-(3-amino-2-chlorophenyl)ethyl carbamate.
What is the SMILES notation for 2-(3-amino-2-chlorophenyl)ethyl carbamate?
The canonical SMILES for 2-(3-amino-2-chlorophenyl)ethyl carbamate is NC(=O)OCCc1cccc(N)c1Cl.
What is the InChIKey of 2-(3-amino-2-chlorophenyl)ethyl carbamate?
The InChIKey is BQEJATTURHLJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-8-6(2-1-3-7(8)11)4-5-14-9(12)13/h1-3H,4-5,11H2,(H2,12,13).
What are the key properties of 2-(3-amino-2-chlorophenyl)ethyl carbamate?
2-(3-amino-2-chlorophenyl)ethyl carbamate has a molecular weight of 214.65 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-chlorophenyl)ethyl carbamate is sourced from PubChem (CID 142788747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).