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

C18H17FN2 — CID 114754987

IUPAC(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-11-9-13(19)7-8-15(11)18(20)17-10-12(2)14-5-3-4-6-16(14)21-17/h3-10,18H,20H2,1-2H3
InChIKeyKTRHOMPIBFLPLC-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.04
Rot. Bonds2

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

(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine (PubChem CID 114754987) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
PubChem CID114754987
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine
SMILESCc1cc(F)ccc1C(N)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H17FN2/c1-11-9-13(19)7-8-15(11)18(20)17-10-12(2)14-5-3-4-6-16(14)21-17/h3-10,18H,20H2,1-2H3
InChIKeyKTRHOMPIBFLPLC-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

(4-fluoro-2-methylphenyl)-quinoxalin-2-ylmethanamine
CID 107357093
(4-chlorophenyl)-(4-methylquinolin-2-yl)methanamine
CID 114754979
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2,4-dimethylphenyl)-quinolin-2-ylmethanamine
CID 63222466
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
[(2-chlorophenyl)-(4-methylquinolin-2-yl)methyl]hydrazine
CID 105279631
1-(4-methylquinolin-2-yl)pent-3-yn-1-amine
CID 114755048
(3,4-difluorophenyl)-(4-methylquinolin-2-yl)methanol
CID 114754840
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine (CID 114754987) is (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine is Cc1cc(F)ccc1C(N)c1cc(C)c2ccccc2n1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine?
The InChIKey is KTRHOMPIBFLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-11-9-13(19)7-8-15(11)18(20)17-10-12(2)14-5-3-4-6-16(14)21-17/h3-10,18H,20H2,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(4-methylquinolin-2-yl)methanamine?
(4-fluoro-2-methylphenyl)-(4-methylquinolin-2-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)-(4-methylquinolin-2-yl)methanamine is sourced from PubChem (CID 114754987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).