1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine

C15H17F2N — CID 116839473

IUPAC1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
SMILESCc1ccc2cc(C(F)(F)C(C)(C)N)ccc2c1
InChIInChI=1S/C15H17F2N/c1-10-4-5-12-9-13(7-6-11(12)8-10)15(16,17)14(2,3)18/h4-9H,18H2,1-3H3
InChIKeyOBNDUQLQMQJXGV-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.98
Rot. Bonds2

About 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine

1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine (PubChem CID 116839473) has the molecular formula C15H17F2N and a molecular weight of 249.30 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
PubChem CID116839473
Molecular FormulaC15H17F2N
Molecular Weight249.30 g/mol
Exact Mass249.13
IUPAC Name1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
SMILESCc1ccc2cc(C(F)(F)C(C)(C)N)ccc2c1
InChIInChI=1S/C15H17F2N/c1-10-4-5-12-9-13(7-6-11(12)8-10)15(16,17)14(2,3)18/h4-9H,18H2,1-3H3
InChIKeyOBNDUQLQMQJXGV-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine (CID 116839473) is 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine is Cc1ccc2cc(C(F)(F)C(C)(C)N)ccc2c1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine?
The InChIKey is OBNDUQLQMQJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N/c1-10-4-5-12-9-13(7-6-11(12)8-10)15(16,17)14(2,3)18/h4-9H,18H2,1-3H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine?
1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine has a molecular weight of 249.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine is sourced from PubChem (CID 116839473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).