1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C17H17BrFN — CID 106644704

IUPAC1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(N)(c2cccc(Br)c2F)c2ccccc21
InChIInChI=1S/C17H17BrFN/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)14-7-4-8-15(18)16(14)19/h2-8,11H,9-10,20H2,1H3
InChIKeyOXUOTWPGPYQAEH-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.69
Rot. Bonds1

About 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 106644704) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID106644704
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCC1CCC(N)(c2cccc(Br)c2F)c2ccccc21
InChIInChI=1S/C17H17BrFN/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)14-7-4-8-15(18)16(14)19/h2-8,11H,9-10,20H2,1H3
InChIKeyOXUOTWPGPYQAEH-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-(3-bromo-2-fluorophenyl)-3-ethylcyclopentan-1-amine
CID 106644684
1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
CID 106644257
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
1-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 102856985
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418694
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
1-[(2-fluorophenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419563
1-(3-bromo-2-fluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 106644450

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 106644704) is 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is CC1CCC(N)(c2cccc(Br)c2F)c2ccccc21.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is OXUOTWPGPYQAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11-9-10-17(20,13-6-3-2-5-12(11)13)14-7-4-8-15(18)16(14)19/h2-8,11H,9-10,20H2,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 334.23 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 106644704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).