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

C17H15FN2 — CID 63644523

IUPACN-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
SMILESCc1ccc(CNc2cnc3ccccc3c2)cc1F
InChIInChI=1S/C17H15FN2/c1-12-6-7-13(8-16(12)18)10-19-15-9-14-4-2-3-5-17(14)20-11-15/h2-9,11,19H,10H2,1H3
InChIKeyYVFXCCUHFZYLIH-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.29
Rot. Bonds3

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

N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine (PubChem CID 63644523) 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-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
PubChem CID63644523
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
SMILESCc1ccc(CNc2cnc3ccccc3c2)cc1F
InChIInChI=1S/C17H15FN2/c1-12-6-7-13(8-16(12)18)10-19-15-9-14-4-2-3-5-17(14)20-11-15/h2-9,11,19H,10H2,1H3
InChIKeyYVFXCCUHFZYLIH-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-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
N-[(4-ethylphenyl)methyl]quinolin-3-amine
CID 43691167
4-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645330
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
CID 114841721
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
CID 115951211
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-(3-methylsulfanylpropyl)quinolin-3-amine
CID 43691135
N-(quinolin-3-ylmethyl)aniline
CID 12573835
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine (CID 63644523) is N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine is Cc1ccc(CNc2cnc3ccccc3c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine?
The InChIKey is YVFXCCUHFZYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12-6-7-13(8-16(12)18)10-19-15-9-14-4-2-3-5-17(14)20-11-15/h2-9,11,19H,10H2,1H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine?
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-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-3-amine is sourced from PubChem (CID 63644523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).