tert-butyl N-(3-amino-2-chlorophenyl)carbamate

C11H15ClN2O2 — CID 130506591

IUPACtert-butyl N-(3-amino-2-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyKGPDLWWSAAOXDH-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.27
Rot. Bonds1

About tert-butyl N-(3-amino-2-chlorophenyl)carbamate

tert-butyl N-(3-amino-2-chlorophenyl)carbamate (PubChem CID 130506591) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-chlorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-chlorophenyl)carbamate
PubChem CID130506591
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Nametert-butyl N-(3-amino-2-chlorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(N)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKeyKGPDLWWSAAOXDH-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 2757209
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(3-chloro-2-methanehydrazonoylphenyl)carbamate
CID 168531180
tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
(2R)-2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-hydroxypropanoic acid
CID 20748961
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-chlorophenyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-chlorophenyl)carbamate (CID 130506591) is tert-butyl N-(3-amino-2-chlorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-chlorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-chlorophenyl)carbamate is CC(C)(C)OC(=O)Nc1cccc(N)c1Cl.
What is the InChIKey of tert-butyl N-(3-amino-2-chlorophenyl)carbamate?
The InChIKey is KGPDLWWSAAOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-8-6-4-5-7(13)9(8)12/h4-6H,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(3-amino-2-chlorophenyl)carbamate?
tert-butyl N-(3-amino-2-chlorophenyl)carbamate has a molecular weight of 242.71 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-chlorophenyl)carbamate is sourced from PubChem (CID 130506591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).