(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid

C15H20BrNO2 — CID 66735868

IUPAC(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrNO2/c1-15(2,3)17(14(18)19)13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,19)
InChIKeyAXZWUQSLSRSPSL-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds1

About (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid

(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid (PubChem CID 66735868) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid
PubChem CID66735868
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrNO2/c1-15(2,3)17(14(18)19)13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,19)
InChIKeyAXZWUQSLSRSPSL-UHFFFAOYSA-N
XLogP4.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid?
The IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid (CID 66735868) is (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid.
What is the SMILES notation for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid?
The canonical SMILES for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1CCc2cc(Br)ccc2C1.
What is the InChIKey of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid?
The InChIKey is AXZWUQSLSRSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2,3)17(14(18)19)13-7-5-10-8-12(16)6-4-11(10)9-13/h4,6,8,13H,5,7,9H2,1-3H3,(H,18,19).
What are the key properties of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid?
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid has a molecular weight of 326.23 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid is sourced from PubChem (CID 66735868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).