2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine

C17H17F2N — CID 82819713

IUPAC2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(F)c(C2(N)CCc3ccccc3C2)c1F
InChIInChI=1S/C17H17F2N/c1-11-6-7-14(18)15(16(11)19)17(20)9-8-12-4-2-3-5-13(12)10-17/h2-7H,8-10,20H2,1H3
InChIKeyHDZFWVDGVSQEKM-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.62
Rot. Bonds1

About 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 82819713) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID82819713
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(F)c(C2(N)CCc3ccccc3C2)c1F
InChIInChI=1S/C17H17F2N/c1-11-6-7-14(18)15(16(11)19)17(20)9-8-12-4-2-3-5-13(12)10-17/h2-7H,8-10,20H2,1H3
InChIKeyHDZFWVDGVSQEKM-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 82819713) is 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine is Cc1ccc(F)c(C2(N)CCc3ccccc3C2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is HDZFWVDGVSQEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11-6-7-14(18)15(16(11)19)17(20)9-8-12-4-2-3-5-13(12)10-17/h2-7H,8-10,20H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 273.33 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 82819713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).