1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine

C16H15F2N — CID 55120889

IUPAC1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2cc(F)ccc2F)CCCc2ccccc21
InChIInChI=1S/C16H15F2N/c17-12-7-8-15(18)14(10-12)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,19H2
InChIKeyVBJHJRGXDOCMJN-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.50
Rot. Bonds1

About 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 55120889) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID55120889
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESNC1(c2cc(F)ccc2F)CCCc2ccccc21
InChIInChI=1S/C16H15F2N/c17-12-7-8-15(18)14(10-12)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,19H2
InChIKeyVBJHJRGXDOCMJN-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 55120889) is 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine is NC1(c2cc(F)ccc2F)CCCc2ccccc21.
What is the InChIKey of 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is VBJHJRGXDOCMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-12-7-8-15(18)14(10-12)16(19)9-3-5-11-4-1-2-6-13(11)16/h1-2,4,6-8,10H,3,5,9,19H2.
What are the key properties of 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 259.30 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 55120889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).