1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine

C18H17FN2 — CID 105142364

IUPAC1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1ccnc2ccccc12
InChIInChI=1S/C18H17FN2/c1-12-7-8-13(19)11-16(12)18(20-2)15-9-10-21-17-6-4-3-5-14(15)17/h3-11,18,20H,1-2H3
InChIKeyDBYLJQGXZDMCPW-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.99
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine

1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine (PubChem CID 105142364) 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-4-ylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
PubChem CID105142364
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine
SMILESCNC(c1cc(F)ccc1C)c1ccnc2ccccc12
InChIInChI=1S/C18H17FN2/c1-12-7-8-13(19)11-16(12)18(20-2)15-9-10-21-17-6-4-3-5-14(15)17/h3-11,18,20H,1-2H3
InChIKeyDBYLJQGXZDMCPW-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-(2-chloro-5-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 105396938
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755234
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81227882
1-(5-fluoro-2-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142477
1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
(2,5-difluorophenyl)-quinolin-4-ylmethanol
CID 63893789
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(5-fluoro-2-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065509
[(4-fluorophenyl)-quinolin-4-ylmethyl]hydrazine
CID 105284020

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine (CID 105142364) is 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine is CNC(c1cc(F)ccc1C)c1ccnc2ccccc12.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
The InChIKey is DBYLJQGXZDMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-12-7-8-13(19)11-16(12)18(20-2)15-9-10-21-17-6-4-3-5-14(15)17/h3-11,18,20H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-ylmethanamine?
1-(5-fluoro-2-methylphenyl)-N-methyl-1-quinolin-4-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-4-ylmethanamine is sourced from PubChem (CID 105142364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).