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

C16H12BrFN2 — CID 81436143

IUPACN-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
SMILESFc1cc(CNc2cnc3ccccc3c2)ccc1Br
InChIInChI=1S/C16H12BrFN2/c17-14-6-5-11(7-15(14)18)9-19-13-8-12-3-1-2-4-16(12)20-10-13/h1-8,10,19H,9H2
InChIKeyUVHKFIBWCQWMDU-UHFFFAOYSA-N
MW331.19 g/mol
LogP4.75
Rot. Bonds3

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

N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine (PubChem CID 81436143) has the molecular formula C16H12BrFN2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
PubChem CID81436143
Molecular FormulaC16H12BrFN2
Molecular Weight331.19 g/mol
Exact Mass330.02
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
SMILESFc1cc(CNc2cnc3ccccc3c2)ccc1Br
InChIInChI=1S/C16H12BrFN2/c17-14-6-5-11(7-15(14)18)9-19-13-8-12-3-1-2-4-16(12)20-10-13/h1-8,10,19H,9H2
InChIKeyUVHKFIBWCQWMDU-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(4-bromo-3-fluorophenyl)methyl]pyrimidin-5-amine
CID 107587862
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
CID 115951211
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293
N-(quinolin-3-ylmethyl)aniline
CID 12573835

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine (CID 81436143) is N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine is Fc1cc(CNc2cnc3ccccc3c2)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine?
The InChIKey is UVHKFIBWCQWMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2/c17-14-6-5-11(7-15(14)18)9-19-13-8-12-3-1-2-4-16(12)20-10-13/h1-8,10,19H,9H2.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine?
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine has a molecular weight of 331.19 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine is sourced from PubChem (CID 81436143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).