2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine

C22H23BrFNO — CID 135331275

IUPAC2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1ccc2c(Br)c(F)ccc2c1OCc1ccccc1
InChIInChI=1S/C22H23BrFNO/c1-4-25-22(2,3)18-12-10-16-17(11-13-19(24)20(16)23)21(18)26-14-15-8-6-5-7-9-15/h5-13,25H,4,14H2,1-3H3
InChIKeyCOEAQEGVNHHAKG-UHFFFAOYSA-N
MW416.33 g/mol
LogP6.16
Rot. Bonds6

About 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine

2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine (PubChem CID 135331275) has the molecular formula C22H23BrFNO and a molecular weight of 416.33 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine
PubChem CID135331275
Molecular FormulaC22H23BrFNO
Molecular Weight416.33 g/mol
Exact Mass415.09
IUPAC Name2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine
SMILESCCNC(C)(C)c1ccc2c(Br)c(F)ccc2c1OCc1ccccc1
InChIInChI=1S/C22H23BrFNO/c1-4-25-22(2,3)18-12-10-16-17(11-13-19(24)20(16)23)21(18)26-14-15-8-6-5-7-9-15/h5-13,25H,4,14H2,1-3H3
InChIKeyCOEAQEGVNHHAKG-UHFFFAOYSA-N
XLogP6.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine?
The IUPAC name of 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine (CID 135331275) is 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine.
What is the SMILES notation for 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine?
The canonical SMILES for 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine is CCNC(C)(C)c1ccc2c(Br)c(F)ccc2c1OCc1ccccc1.
What is the InChIKey of 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine?
The InChIKey is COEAQEGVNHHAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrFNO/c1-4-25-22(2,3)18-12-10-16-17(11-13-19(24)20(16)23)21(18)26-14-15-8-6-5-7-9-15/h5-13,25H,4,14H2,1-3H3.
What are the key properties of 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine?
2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine has a molecular weight of 416.33 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-1-phenylmethoxynaphthalen-2-yl)-N-ethylpropan-2-amine is sourced from PubChem (CID 135331275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).