N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine

C17H12F3N — CID 59327767

IUPACN-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
SMILESCN(c1c(F)cc(F)cc1F)c1cccc2ccccc12
InChIInChI=1S/C17H12F3N/c1-21(17-14(19)9-12(18)10-15(17)20)16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3
InChIKeyQJCRWQLPKGIMME-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.03
Rot. Bonds2

About N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine

N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine (PubChem CID 59327767) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
PubChem CID59327767
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine
SMILESCN(c1c(F)cc(F)cc1F)c1cccc2ccccc12
InChIInChI=1S/C17H12F3N/c1-21(17-14(19)9-12(18)10-15(17)20)16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3
InChIKeyQJCRWQLPKGIMME-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine?
The IUPAC name of N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine (CID 59327767) is N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine.
What is the SMILES notation for N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine?
The canonical SMILES for N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine is CN(c1c(F)cc(F)cc1F)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine?
The InChIKey is QJCRWQLPKGIMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-21(17-14(19)9-12(18)10-15(17)20)16-8-4-6-11-5-2-3-7-13(11)16/h2-10H,1H3.
What are the key properties of N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine?
N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine has a molecular weight of 287.28 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,4,6-trifluorophenyl)naphthalen-1-amine is sourced from PubChem (CID 59327767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).