tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate

C15H23ClN2O2 — CID 103638800

IUPACtert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCNCc1ccccc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)20-14(19)18(4)10-9-17-11-12-7-5-6-8-13(12)16/h5-8,17H,9-11H2,1-4H3
InChIKeyWQALZOMASFLQPO-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate (PubChem CID 103638800) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
PubChem CID103638800
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
SMILESCN(CCNCc1ccccc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-15(2,3)20-14(19)18(4)10-9-17-11-12-7-5-6-8-13(12)16/h5-8,17H,9-11H2,1-4H3
InChIKeyWQALZOMASFLQPO-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245125
tert-butyl N-[2-[(2-hydroxy-5-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103920808
tert-butyl N-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953299
tert-butyl N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245208
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate
CID 144705758
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
tert-butyl N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]-N-ethylcarbamate
CID 107245367
tert-butyl N-[2-[(3-fluoro-5-hydroxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 104878956
2-[(2-chlorophenyl)methylamino]-N-ethyl-N-methylacetamide
CID 43309591
tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate (CID 103638800) is tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate is CN(CCNCc1ccccc1Cl)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate?
The InChIKey is WQALZOMASFLQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-15(2,3)20-14(19)18(4)10-9-17-11-12-7-5-6-8-13(12)16/h5-8,17H,9-11H2,1-4H3.
What are the key properties of tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate has a molecular weight of 298.81 g/mol, XLogP of 3.30, 5 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-chlorophenyl)methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 103638800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).