1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine

C18H21FN2 — CID 106530990

IUPAC1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CC(C)Cc3ccccc32)c1
InChIInChI=1S/C18H21FN2/c1-13-7-15-5-3-4-6-18(15)21(12-13)17-9-14(11-20-2)8-16(19)10-17/h3-6,8-10,13,20H,7,11-12H2,1-2H3
InChIKeyOCMKJMHDGZBZAJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.88
Rot. Bonds3

About 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine

1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 106530990) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine
PubChem CID106530990
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CC(C)Cc3ccccc32)c1
InChIInChI=1S/C18H21FN2/c1-13-7-15-5-3-4-6-18(15)21(12-13)17-9-14(11-20-2)8-16(19)10-17/h3-6,8-10,13,20H,7,11-12H2,1-2H3
InChIKeyOCMKJMHDGZBZAJ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine (CID 106530990) is 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine is CNCc1cc(F)cc(N2CC(C)Cc3ccccc32)c1.
What is the InChIKey of 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is OCMKJMHDGZBZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-7-15-5-3-4-6-18(15)21(12-13)17-9-14(11-20-2)8-16(19)10-17/h3-6,8-10,13,20H,7,11-12H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine?
1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106530990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).