2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

C18H21FN2 — CID 106532388

IUPAC2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2cc(F)cc(CCN)c2)C1
InChIInChI=1S/C18H21FN2/c1-13-8-15-4-2-3-5-18(15)21(12-13)17-10-14(6-7-20)9-16(19)11-17/h2-5,9-11,13H,6-8,12,20H2,1H3
InChIKeyATCNBDLUOTVMPM-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.66
Rot. Bonds3

About 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine

2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (PubChem CID 106532388) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
PubChem CID106532388
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
SMILESCC1Cc2ccccc2N(c2cc(F)cc(CCN)c2)C1
InChIInChI=1S/C18H21FN2/c1-13-8-15-4-2-3-5-18(15)21(12-13)17-10-14(6-7-20)9-16(19)11-17/h2-5,9-11,13H,6-8,12,20H2,1H3
InChIKeyATCNBDLUOTVMPM-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine
CID 106530990
1-(3-fluoro-5-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80752021
[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 63551419
2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532879
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115368336
2-[3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 63784738
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 115367528
1-[2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532709
3-fluoro-4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769057
(1S)-1-[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944403
2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 79516134
[3-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanamine
CID 105389866

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine (CID 106532388) is 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is CC1Cc2ccccc2N(c2cc(F)cc(CCN)c2)C1.
What is the InChIKey of 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
The InChIKey is ATCNBDLUOTVMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-8-15-4-2-3-5-18(15)21(12-13)17-10-14(6-7-20)9-16(19)11-17/h2-5,9-11,13H,6-8,12,20H2,1H3.
What are the key properties of 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine?
2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 106532388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).