N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride

C13H12BrClFN — CID 47023745

IUPACN-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
SMILESCl.Fc1ccc(Br)cc1CNc1ccccc1
InChIInChI=1S/C13H11BrFN.ClH/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12;/h1-8,16H,9H2;1H
InChIKeyTUIFSTOSVGCZNW-UHFFFAOYSA-N
MW316.60 g/mol
LogP4.62
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride (PubChem CID 47023745) has the molecular formula C13H12BrClFN and a molecular weight of 316.60 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
PubChem CID47023745
Molecular FormulaC13H12BrClFN
Molecular Weight316.60 g/mol
Exact Mass314.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
SMILESCl.Fc1ccc(Br)cc1CNc1ccccc1
InChIInChI=1S/C13H11BrFN.ClH/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12;/h1-8,16H,9H2;1H
InChIKeyTUIFSTOSVGCZNW-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-[(5-bromo-2-fluorophenyl)methyl]benzene-1,3-diamine
CID 61299854
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]methanol
CID 112706584
N-[(5-bromo-2-fluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 43732956
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43722164
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674318

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride (CID 47023745) is N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride is Cl.Fc1ccc(Br)cc1CNc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride?
The InChIKey is TUIFSTOSVGCZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN.ClH/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12;/h1-8,16H,9H2;1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride has a molecular weight of 316.60 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride is sourced from PubChem (CID 47023745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).