4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline

C17H13BrFN — CID 65437656

IUPAC4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
SMILESFc1cc(NCc2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C17H13BrFN/c18-16-8-7-15(10-17(16)19)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2
InChIKeyDHOMHOROTJOJRH-UHFFFAOYSA-N
MW330.20 g/mol
LogP5.35
Rot. Bonds3

About 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline

4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline (PubChem CID 65437656) has the molecular formula C17H13BrFN and a molecular weight of 330.20 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
PubChem CID65437656
Molecular FormulaC17H13BrFN
Molecular Weight330.20 g/mol
Exact Mass329.02
IUPAC Name4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
SMILESFc1cc(NCc2ccc3ccccc3c2)ccc1Br
InChIInChI=1S/C17H13BrFN/c18-16-8-7-15(10-17(16)19)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2
InChIKeyDHOMHOROTJOJRH-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
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 65436509
5-bromo-4-fluoro-2-methyl-N-(naphthalen-2-ylmethyl)aniline
CID 107591565
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline (CID 65437656) is 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline is Fc1cc(NCc2ccc3ccccc3c2)ccc1Br.
What is the InChIKey of 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline?
The InChIKey is DHOMHOROTJOJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN/c18-16-8-7-15(10-17(16)19)20-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10,20H,11H2.
What are the key properties of 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline?
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline 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 4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline is sourced from PubChem (CID 65437656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).