N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine

C17H13BrFN — CID 43533079

IUPACN-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
SMILESFc1ccc(CNc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C17H13BrFN/c18-16-9-12(5-8-17(16)19)11-20-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,20H,11H2
InChIKeyLKPAMCWAVWWGJX-UHFFFAOYSA-N
MW330.20 g/mol
LogP5.35
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine (PubChem CID 43533079) has the molecular formula C17H13BrFN and a molecular weight of 330.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
PubChem CID43533079
Molecular FormulaC17H13BrFN
Molecular Weight330.20 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
SMILESFc1ccc(CNc2ccc3ccccc3c2)cc1Br
InChIInChI=1S/C17H13BrFN/c18-16-9-12(5-8-17(16)19)11-20-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,20H,11H2
InChIKeyLKPAMCWAVWWGJX-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.20
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
N-[(3-bromo-4-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 28557600
4-[(3-bromo-4-fluorophenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788476
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
1-N-[(3-bromo-4-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376523
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine (CID 43533079) is N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine is Fc1ccc(CNc2ccc3ccccc3c2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine?
The InChIKey is LKPAMCWAVWWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN/c18-16-9-12(5-8-17(16)19)11-20-15-7-6-13-3-1-2-4-14(13)10-15/h1-10,20H,11H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine has a molecular weight of 330.20 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 43533079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).