4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

C17H19FN2O — CID 114837968

IUPAC4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCOc1cc(NCc2cccc3c2NCCC3)ccc1F
InChIInChI=1S/C17H19FN2O/c1-21-16-10-14(7-8-15(16)18)20-11-13-5-2-4-12-6-3-9-19-17(12)13/h2,4-5,7-8,10,19-20H,3,6,9,11H2,1H3
InChIKeyDRLJLNAXIAHKSX-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.80
Rot. Bonds4

About 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline

4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (PubChem CID 114837968) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
PubChem CID114837968
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
SMILESCOc1cc(NCc2cccc3c2NCCC3)ccc1F
InChIInChI=1S/C17H19FN2O/c1-21-16-10-14(7-8-15(16)18)20-11-13-5-2-4-12-6-3-9-19-17(12)13/h2,4-5,7-8,10,19-20H,3,6,9,11H2,1H3
InChIKeyDRLJLNAXIAHKSX-UHFFFAOYSA-N
XLogP3.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838905
4-bromo-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 82860022
2-methoxy-5-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)phenol
CID 80649181
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dimethoxyaniline
CID 80650262
2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649508
4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
N-[(2-bromo-3-fluorophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114839488
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829
2,6-dichloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 83078170
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline (CID 114837968) is 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is COc1cc(NCc2cccc3c2NCCC3)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
The InChIKey is DRLJLNAXIAHKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-16-10-14(7-8-15(16)18)20-11-13-5-2-4-12-6-3-9-19-17(12)13/h2,4-5,7-8,10,19-20H,3,6,9,11H2,1H3.
What are the key properties of 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline?
4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline has a molecular weight of 286.35 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline is sourced from PubChem (CID 114837968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).