tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate

C17H20BrNO2 — CID 142472839

IUPACtert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccccc2cc1Br
InChIInChI=1S/C17H20BrNO2/c1-17(2,3)21-16(20)19-9-8-14-10-12-6-4-5-7-13(12)11-15(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyQDHSGYVMPFRFNP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.67
Rot. Bonds3

About tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate

tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate (PubChem CID 142472839) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate
PubChem CID142472839
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Nametert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1cc2ccccc2cc1Br
InChIInChI=1S/C17H20BrNO2/c1-17(2,3)21-16(20)19-9-8-14-10-12-6-4-5-7-13(12)11-15(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyQDHSGYVMPFRFNP-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate (CID 142472839) is tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCc1cc2ccccc2cc1Br.
What is the InChIKey of tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate?
The InChIKey is QDHSGYVMPFRFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-17(2,3)21-16(20)19-9-8-14-10-12-6-4-5-7-13(12)11-15(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate?
tert-butyl N-[2-(3-bromonaphthalen-2-yl)ethyl]carbamate has a molecular weight of 350.26 g/mol, XLogP of 4.67, 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-(3-bromonaphthalen-2-yl)ethyl]carbamate is sourced from PubChem (CID 142472839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).