N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine

C18H16ClFN2 — CID 29241212

IUPACN-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cc2ccccc2nc1Cl
InChIInChI=1S/C18H16ClFN2/c19-18-15(11-14-6-2-4-8-17(14)22-18)12-21-10-9-13-5-1-3-7-16(13)20/h1-8,11,21H,9-10,12H2
InChIKeyNLNFUGBFGSQRQA-UHFFFAOYSA-N
MW314.79 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 29241212) has the molecular formula C18H16ClFN2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID29241212
Molecular FormulaC18H16ClFN2
Molecular Weight314.79 g/mol
Exact Mass314.10
IUPAC NameN-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cc2ccccc2nc1Cl
InChIInChI=1S/C18H16ClFN2/c19-18-15(11-14-6-2-4-8-17(14)22-18)12-21-10-9-13-5-1-3-7-16(13)20/h1-8,11,21H,9-10,12H2
InChIKeyNLNFUGBFGSQRQA-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 114841353
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 26318707
(2-chloroquinolin-3-yl)methanamine
CID 71748539
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 83235359
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66532191
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17293135
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine (CID 29241212) is N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is NLNFUGBFGSQRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2/c19-18-15(11-14-6-2-4-8-17(14)22-18)12-21-10-9-13-5-1-3-7-16(13)20/h1-8,11,21H,9-10,12H2.
What are the key properties of N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 314.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 29241212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).