N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine

C14H14ClF3N2 — CID 107489150

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCCl)Cc1cccc2cccnc12
InChIInChI=1S/C14H14ClF3N2/c15-6-8-20(10-14(16,17)18)9-12-4-1-3-11-5-2-7-19-13(11)12/h1-5,7H,6,8-10H2
InChIKeyORFOIYXJFMUKFA-UHFFFAOYSA-N
MW302.73 g/mol
LogP3.84
Rot. Bonds5

About N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 107489150) has the molecular formula C14H14ClF3N2 and a molecular weight of 302.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID107489150
Molecular FormulaC14H14ClF3N2
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCCl)Cc1cccc2cccnc12
InChIInChI=1S/C14H14ClF3N2/c15-6-8-20(10-14(16,17)18)9-12-4-1-3-11-5-2-7-19-13(11)12/h1-5,7H,6,8-10H2
InChIKeyORFOIYXJFMUKFA-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
N-methyl-N'-propyl-N'-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 54984195
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75372180
quinolin-8-ylmethanamine;hydrochloride
CID 50988699

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine (CID 107489150) is N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine is FC(F)(F)CN(CCCl)Cc1cccc2cccnc12.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is ORFOIYXJFMUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2/c15-6-8-20(10-14(16,17)18)9-12-4-1-3-11-5-2-7-19-13(11)12/h1-5,7H,6,8-10H2.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 302.73 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 107489150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).