N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine

C18H15BrFN — CID 82964453

IUPACN-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C18H15BrFN/c1-12(17-9-7-15(19)11-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyYENUHTHXHHVIMP-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.91
Rot. Bonds3

About N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine

N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine (PubChem CID 82964453) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
PubChem CID82964453
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1F
InChIInChI=1S/C18H15BrFN/c1-12(17-9-7-15(19)11-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyYENUHTHXHHVIMP-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]naphthalen-2-amine
CID 43680266
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
CID 82964704
1-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82964058
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-(difluoromethylsulfanyl)aniline
CID 82964279
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-nitroaniline
CID 82962929
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
CID 43680270
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine (CID 82964453) is N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine is CC(Nc1ccc2ccccc2c1)c1ccc(Br)cc1F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine?
The InChIKey is YENUHTHXHHVIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-12(17-9-7-15(19)11-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine?
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine has a molecular weight of 344.23 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 82964453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).