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

C14H16BrNO2 — CID 63630624

IUPAC6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H16BrNO2/c15-11-2-1-10-8-14(13(17)18,16-12-3-4-12)6-5-9(10)7-11/h1-2,7,12,16H,3-6,8H2,(H,17,18)
InChIKeyPVUHPVPGAFNROO-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.51
Rot. Bonds3

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

6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 63630624) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID63630624
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H16BrNO2/c15-11-2-1-10-8-14(13(17)18,16-12-3-4-12)6-5-9(10)7-11/h1-2,7,12,16H,3-6,8H2,(H,17,18)
InChIKeyPVUHPVPGAFNROO-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 63630624) is 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(NC2CC2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is PVUHPVPGAFNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c15-11-2-1-10-8-14(13(17)18,16-12-3-4-12)6-5-9(10)7-11/h1-2,7,12,16H,3-6,8H2,(H,17,18).
What are the key properties of 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 310.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 63630624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).