N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine

C16H17FN2 — CID 82537194

IUPACN-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H17FN2/c1-19-10-2-3-12-11-15(8-9-16(12)19)18-14-6-4-13(17)5-7-14/h4-9,11,18H,2-3,10H2,1H3
InChIKeyJWMWKUHYSXHLQX-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.95
Rot. Bonds2

About N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine

N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 82537194) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID82537194
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCN1CCCc2cc(Nc3ccc(F)cc3)ccc21
InChIInChI=1S/C16H17FN2/c1-19-10-2-3-12-11-15(8-9-16(12)19)18-14-6-4-13(17)5-7-14/h4-9,11,18H,2-3,10H2,1H3
InChIKeyJWMWKUHYSXHLQX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3,4-dihydro-2H-quinolin-6-amine
CID 110452960
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 140666668
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
CID 82539703
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
N-(3-methoxyphenyl)-1-methyl-2,3-dihydroindol-5-amine
CID 82537037
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
[(3R)-3-(4-fluoroanilino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 42522581

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine (CID 82537194) is N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine is CN1CCCc2cc(Nc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is JWMWKUHYSXHLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-19-10-2-3-12-11-15(8-9-16(12)19)18-14-6-4-13(17)5-7-14/h4-9,11,18H,2-3,10H2,1H3.
What are the key properties of N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine?
N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 256.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 82537194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).