6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C15H20BrNO2 — CID 55248465

IUPAC6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrNO2/c1-10(2)9-17-15(14(18)19)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyAADCVZNUUMSGPI-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.01
Rot. Bonds4

About 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 55248465) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID55248465
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C15H20BrNO2/c1-10(2)9-17-15(14(18)19)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19)
InChIKeyAADCVZNUUMSGPI-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 55248465) is 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is CC(C)CNC1(C(=O)O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is AADCVZNUUMSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10(2)9-17-15(14(18)19)6-5-11-7-13(16)4-3-12(11)8-15/h3-4,7,10,17H,5-6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 326.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methylpropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 55248465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).