N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

C16H17FN2 — CID 81215313

IUPACN-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCN(c1cccc(F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C16H17FN2/c1-19(13-6-2-5-12(17)11-13)16-9-3-8-15-14(16)7-4-10-18-15/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyMNEPOJDRQSHWMO-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.95
Rot. Bonds2

About N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine

N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine (PubChem CID 81215313) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
PubChem CID81215313
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC NameN-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
SMILESCN(c1cccc(F)c1)c1cccc2c1CCCN2
InChIInChI=1S/C16H17FN2/c1-19(13-6-2-5-12(17)11-13)16-9-3-8-15-14(16)7-4-10-18-15/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyMNEPOJDRQSHWMO-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine (CID 81215313) is N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine is CN(c1cccc(F)c1)c1cccc2c1CCCN2.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
The InChIKey is MNEPOJDRQSHWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-19(13-6-2-5-12(17)11-13)16-9-3-8-15-14(16)7-4-10-18-15/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine?
N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-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-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine is sourced from PubChem (CID 81215313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).