1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine

C18H17FN2 — CID 81227882

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1cc(F)ccc1C
InChIInChI=1S/C18H17FN2/c1-12-5-8-15(19)11-16(12)18(20-2)14-7-6-13-4-3-9-21-17(13)10-14/h3-11,18,20H,1-2H3
InChIKeyXHCUNNQXXBWNKW-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.99
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine

1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 81227882) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID81227882
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCNC(c1ccc2cccnc2c1)c1cc(F)ccc1C
InChIInChI=1S/C18H17FN2/c1-12-5-8-15(19)11-16(12)18(20-2)14-7-6-13-4-3-9-21-17(13)10-14/h3-11,18,20H,1-2H3
InChIKeyXHCUNNQXXBWNKW-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227611
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-7-ylmethanamine
CID 106755701
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105142364
1-(5-fluoro-2-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142477
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
N-methyl-1-(5-methylthiophen-2-yl)-1-quinolin-7-ylmethanamine
CID 105021478
1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine (CID 81227882) is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine is CNC(c1ccc2cccnc2c1)c1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is XHCUNNQXXBWNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-5-8-15(19)11-16(12)18(20-2)14-7-6-13-4-3-9-21-17(13)10-14/h3-11,18,20H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 280.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 81227882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).