3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine

C17H14BrFN2 — CID 116783232

IUPAC3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1cc(F)ccc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C17H14BrFN2/c1-11-7-15(19)6-5-13(11)9-20-16-4-2-3-12-8-14(18)10-21-17(12)16/h2-8,10,20H,9H2,1H3
InChIKeyLPQCPJUVHYLATF-UHFFFAOYSA-N
MW345.22 g/mol
LogP5.06
Rot. Bonds3

About 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine

3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine (PubChem CID 116783232) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
PubChem CID116783232
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1cc(F)ccc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C17H14BrFN2/c1-11-7-15(19)6-5-13(11)9-20-16-4-2-3-12-8-14(18)10-21-17(12)16/h2-8,10,20H,9H2,1H3
InChIKeyLPQCPJUVHYLATF-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
3-bromo-N-[1-(4-fluorophenyl)ethyl]quinolin-8-amine
CID 116783437
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine (CID 116783232) is 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine is Cc1cc(F)ccc1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine?
The InChIKey is LPQCPJUVHYLATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-11-7-15(19)6-5-13(11)9-20-16-4-2-3-12-8-14(18)10-21-17(12)16/h2-8,10,20H,9H2,1H3.
What are the key properties of 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine?
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine has a molecular weight of 345.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).