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

C18H19F2N — CID 63452350

IUPACN-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(Nc2cccc(F)c2F)c2ccccc21
InChIInChI=1S/C18H19F2N/c1-18(2)11-10-15(12-6-3-4-7-13(12)18)21-16-9-5-8-14(19)17(16)20/h3-9,15,21H,10-11H2,1-2H3
InChIKeyFWDPLPQTCTXEBE-UHFFFAOYSA-N
MW287.35 g/mol
LogP5.19
Rot. Bonds2

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

N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 63452350) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID63452350
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC NameN-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCC(Nc2cccc(F)c2F)c2ccccc21
InChIInChI=1S/C18H19F2N/c1-18(2)11-10-15(12-6-3-4-7-13(12)18)21-16-9-5-8-14(19)17(16)20/h3-9,15,21H,10-11H2,1-2H3
InChIKeyFWDPLPQTCTXEBE-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 63452350) is N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(Nc2cccc(F)c2F)c2ccccc21.
What is the InChIKey of N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is FWDPLPQTCTXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c1-18(2)11-10-15(12-6-3-4-7-13(12)18)21-16-9-5-8-14(19)17(16)20/h3-9,15,21H,10-11H2,1-2H3.
What are the key properties of N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 287.35 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 63452350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).