tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate

C16H18BrNO2 — CID 154725981

IUPACtert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-16(2,3)20-15(19)18(4)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3
InChIKeyFTQHWQRCXURCHD-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.97
Rot. Bonds1

About tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate

tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate (PubChem CID 154725981) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate
PubChem CID154725981
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Nametert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H18BrNO2/c1-16(2,3)20-15(19)18(4)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3
InChIKeyFTQHWQRCXURCHD-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate (CID 154725981) is tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate?
The InChIKey is FTQHWQRCXURCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-16(2,3)20-15(19)18(4)14-8-6-11-9-13(17)7-5-12(11)10-14/h5-10H,1-4H3.
What are the key properties of tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate?
tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate has a molecular weight of 336.23 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromonaphthalen-2-yl)-N-methylcarbamate is sourced from PubChem (CID 154725981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).