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

C17H15FN2 — CID 63647013

IUPACN-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccc(CNc2cccc3cccnc23)cc1F
InChIInChI=1S/C17H15FN2/c1-12-7-8-13(10-15(12)18)11-20-16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyAENAGCCNZPGGFZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.29
Rot. Bonds3

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

N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine (PubChem CID 63647013) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
PubChem CID63647013
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccc(CNc2cccc3cccnc23)cc1F
InChIInChI=1S/C17H15FN2/c1-12-7-8-13(10-15(12)18)11-20-16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyAENAGCCNZPGGFZ-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-[(4-bromo-3-fluorophenyl)methyl]-8-methylquinolin-5-amine
CID 81431405
N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
N-[(3-methylfuran-2-yl)methyl]quinolin-8-amine
CID 113268147
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 55226677
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-8-amine
CID 62749451

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine (CID 63647013) is N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine is Cc1ccc(CNc2cccc3cccnc23)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine?
The InChIKey is AENAGCCNZPGGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12-7-8-13(10-15(12)18)11-20-16-6-2-4-14-5-3-9-19-17(14)16/h2-10,20H,11H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine?
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine has a molecular weight of 266.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 63647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).