tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate

C14H20ClNO3 — CID 146282130

IUPACtert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
SMILESCc1cccc(Cl)c1OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO3/c1-10-6-5-7-11(15)12(10)18-9-8-16-13(17)19-14(2,3)4/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyKXFZZENRRKJRLV-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.55
Rot. Bonds4

About tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate

tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate (PubChem CID 146282130) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
PubChem CID146282130
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate
SMILESCc1cccc(Cl)c1OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H20ClNO3/c1-10-6-5-7-11(15)12(10)18-9-8-16-13(17)19-14(2,3)4/h5-7H,8-9H2,1-4H3,(H,16,17)
InChIKeyKXFZZENRRKJRLV-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(2-chloro-6-methylphenoxy)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

ethyl 2,4-dichloro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 68642230
tert-butyl N-[3-[3-[4-(2,6-dimethylphenoxy)butanoylamino]propylamino]-3-oxopropyl]carbamate
CID 108921601
tert-butyl N-[2-(3-chloro-2-methylanilino)ethyl]carbamate
CID 112702215
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686
1-chloro-2-(2-methoxyethoxy)-3-methylbenzene
CID 59177618
tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
CID 153377794
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[3-(2,4,6-trichloropyrimidin-5-yl)oxypropyl]carbamate
CID 176915180
tert-butyl N-[2-(5-chloro-2-iodophenoxy)ethyl]carbamate
CID 175686847
tert-butyl N-[2-(4-amino-3-chlorophenoxy)ethyl]carbamate
CID 134180761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate (CID 146282130) is tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate is Cc1cccc(Cl)c1OCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate?
The InChIKey is KXFZZENRRKJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-6-5-7-11(15)12(10)18-9-8-16-13(17)19-14(2,3)4/h5-7H,8-9H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate?
tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate has a molecular weight of 285.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-chloro-6-methylphenoxy)ethyl]carbamate is sourced from PubChem (CID 146282130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).