4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline

C17H18ClFN2 — CID 63444151

IUPAC4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
SMILESCN1CCCc2cc(CNc3ccc(Cl)c(F)c3)ccc21
InChIInChI=1S/C17H18ClFN2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-14-5-6-15(18)16(19)10-14/h4-7,9-10,20H,2-3,8,11H2,1H3
InChIKeyBYILYNUBUCCKCR-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline

4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline (PubChem CID 63444151) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
PubChem CID63444151
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
SMILESCN1CCCc2cc(CNc3ccc(Cl)c(F)c3)ccc21
InChIInChI=1S/C17H18ClFN2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-14-5-6-15(18)16(19)10-14/h4-7,9-10,20H,2-3,8,11H2,1H3
InChIKeyBYILYNUBUCCKCR-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953
4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
N-[2-(4-chlorophenyl)ethyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 110452234
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
[3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenyl]methanol
CID 62096158
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
CID 89062923
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]benzonitrile
CID 62097365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The IUPAC name of 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline (CID 63444151) is 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline is CN1CCCc2cc(CNc3ccc(Cl)c(F)c3)ccc21.
What is the InChIKey of 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
The InChIKey is BYILYNUBUCCKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-21-8-2-3-13-9-12(4-7-17(13)21)11-20-14-5-6-15(18)16(19)10-14/h4-7,9-10,20H,2-3,8,11H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline?
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline has a molecular weight of 304.80 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline is sourced from PubChem (CID 63444151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).