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

C17H19FN2 — CID 106902144

IUPAC3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
SMILESCN(CC1CNc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2/c1-20(16-7-4-6-15(18)10-16)12-13-9-14-5-2-3-8-17(14)19-11-13/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVZRKDGXIGGNUGP-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.55
Rot. Bonds3

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

3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline (PubChem CID 106902144) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
PubChem CID106902144
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
SMILESCN(CC1CNc2ccccc2C1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2/c1-20(16-7-4-6-15(18)10-16)12-13-9-14-5-2-3-8-17(14)19-11-13/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVZRKDGXIGGNUGP-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-fluoro-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline
CID 106902120
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
CID 116679881
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902040
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
CID 106902048
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline (CID 106902144) is 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline is CN(CC1CNc2ccccc2C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
The InChIKey is VZRKDGXIGGNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-20(16-7-4-6-15(18)10-16)12-13-9-14-5-2-3-8-17(14)19-11-13/h2-8,10,13,19H,9,11-12H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline?
3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline has a molecular weight of 270.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)aniline is sourced from PubChem (CID 106902144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).