tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate

C15H22BrNO2 — CID 86697210

IUPACtert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
SMILESCc1cc(CCNC(=O)OC(C)(C)C)cc(C)c1Br
InChIInChI=1S/C15H22BrNO2/c1-10-8-12(9-11(2)13(10)16)6-7-17-14(18)19-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyUZFHWQNHIVRXMK-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate

tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate (PubChem CID 86697210) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
PubChem CID86697210
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Nametert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
SMILESCc1cc(CCNC(=O)OC(C)(C)C)cc(C)c1Br
InChIInChI=1S/C15H22BrNO2/c1-10-8-12(9-11(2)13(10)16)6-7-17-14(18)19-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,18)
InChIKeyUZFHWQNHIVRXMK-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68945213
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
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tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-(2-phenylethyl)carbamate;ethane
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tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
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3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 121396817
tert-butyl N-[3-amino-2-(4-bromo-3,5-dimethylanilino)propyl]carbamate
CID 107573064
tert-butyl N-[2-(4-cyano-2,6-dimethylphenyl)ethyl]carbamate
CID 86663447
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151
tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate (CID 86697210) is tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate is Cc1cc(CCNC(=O)OC(C)(C)C)cc(C)c1Br.
What is the InChIKey of tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate?
The InChIKey is UZFHWQNHIVRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-8-12(9-11(2)13(10)16)6-7-17-14(18)19-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate?
tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate has a molecular weight of 328.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate is sourced from PubChem (CID 86697210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).