(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine

C18H17FN2 — CID 81270225

IUPAC(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3ccc(F)cc3C)ccc2n1
InChIInChI=1S/C18H17FN2/c1-11-9-15(19)6-7-16(11)18(20)14-5-8-17-13(10-14)4-3-12(2)21-17/h3-10,18H,20H2,1-2H3
InChIKeyXLLJKSZSEQCKJC-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.04
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine

(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine (PubChem CID 81270225) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
PubChem CID81270225
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
SMILESCc1ccc2cc(C(N)c3ccc(F)cc3C)ccc2n1
InChIInChI=1S/C18H17FN2/c1-11-9-15(19)6-7-16(11)18(20)14-5-8-17-13(10-14)4-3-12(2)21-17/h3-10,18H,20H2,1-2H3
InChIKeyXLLJKSZSEQCKJC-UHFFFAOYSA-N
XLogP4.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(2,3-dimethylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 105020875
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(3-chloro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 107102897
(2-methylquinolin-6-yl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105172277
(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol
CID 115826640
[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
CID 105193028
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
(2,5-dimethylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanamine
CID 105172278
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
3,3,3-trifluoro-1-(2-methylquinolin-6-yl)propan-1-amine
CID 79016384
(2-fluoro-4-methylphenyl)-(2-methylquinolin-6-yl)methanol
CID 115826569

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine (CID 81270225) is (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine is Cc1ccc2cc(C(N)c3ccc(F)cc3C)ccc2n1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
The InChIKey is XLLJKSZSEQCKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-11-9-15(19)6-7-16(11)18(20)14-5-8-17-13(10-14)4-3-12(2)21-17/h3-10,18H,20H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine?
(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine has a molecular weight of 280.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine is sourced from PubChem (CID 81270225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).