6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine

C17H13BrFNO — CID 155103708

IUPAC6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine
SMILESNc1c(OCc2ccccc2)cc2cc(Br)ccc2c1F
InChIInChI=1S/C17H13BrFNO/c18-13-6-7-14-12(8-13)9-15(17(20)16(14)19)21-10-11-4-2-1-3-5-11/h1-9H,10,20H2
InChIKeySGZUTVWSGJIMQL-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.90
Rot. Bonds3

About 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine

6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine (PubChem CID 155103708) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine
PubChem CID155103708
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine
SMILESNc1c(OCc2ccccc2)cc2cc(Br)ccc2c1F
InChIInChI=1S/C17H13BrFNO/c18-13-6-7-14-12(8-13)9-15(17(20)16(14)19)21-10-11-4-2-1-3-5-11/h1-9H,10,20H2
InChIKeySGZUTVWSGJIMQL-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine?
The IUPAC name of 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine (CID 155103708) is 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine.
What is the SMILES notation for 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine?
The canonical SMILES for 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine is Nc1c(OCc2ccccc2)cc2cc(Br)ccc2c1F.
What is the InChIKey of 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine?
The InChIKey is SGZUTVWSGJIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-13-6-7-14-12(8-13)9-15(17(20)16(14)19)21-10-11-4-2-1-3-5-11/h1-9H,10,20H2.
What are the key properties of 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine?
6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine has a molecular weight of 346.20 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-fluoro-3-phenylmethoxynaphthalen-2-amine is sourced from PubChem (CID 155103708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).