N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline

C18H21FN2 — CID 106902120

IUPACN-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
SMILESCCN(CC1CNc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-2-21(17-8-5-7-16(19)11-17)13-14-10-15-6-3-4-9-18(15)20-12-14/h3-9,11,14,20H,2,10,12-13H2,1H3
InChIKeyJRAOQJNVZPHPEA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.94
Rot. Bonds4

About N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline

N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline (PubChem CID 106902120) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
PubChem CID106902120
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
SMILESCCN(CC1CNc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-2-21(17-8-5-7-16(19)11-17)13-14-10-15-6-3-4-9-18(15)20-12-14/h3-9,11,14,20H,2,10,12-13H2,1H3
InChIKeyJRAOQJNVZPHPEA-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The IUPAC name of N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline (CID 106902120) is N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline is CCN(CC1CNc2ccccc2C1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The InChIKey is JRAOQJNVZPHPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-21(17-8-5-7-16(19)11-17)13-14-10-15-6-3-4-9-18(15)20-12-14/h3-9,11,14,20H,2,10,12-13H2,1H3.
What are the key properties of N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline has a molecular weight of 284.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline is sourced from PubChem (CID 106902120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).