(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine

C17H14F2N2 — CID 82802155

IUPAC(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2ccc3ccccc3n2)c1F
InChIInChI=1S/C17H14F2N2/c1-10-6-8-12(18)15(16(10)19)17(20)14-9-7-11-4-2-3-5-13(11)21-14/h2-9,17H,20H2,1H3
InChIKeyPWCDPIHSRFGMOZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.87
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine

(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine (PubChem CID 82802155) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine
PubChem CID82802155
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2ccc3ccccc3n2)c1F
InChIInChI=1S/C17H14F2N2/c1-10-6-8-12(18)15(16(10)19)17(20)14-9-7-11-4-2-3-5-13(11)21-14/h2-9,17H,20H2,1H3
InChIKeyPWCDPIHSRFGMOZ-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine (CID 82802155) is (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine is Cc1ccc(F)c(C(N)c2ccc3ccccc3n2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine?
The InChIKey is PWCDPIHSRFGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c1-10-6-8-12(18)15(16(10)19)17(20)14-9-7-11-4-2-3-5-13(11)21-14/h2-9,17H,20H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine?
(2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine has a molecular weight of 284.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-quinolin-2-ylmethanamine is sourced from PubChem (CID 82802155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).