(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine

C19H20F2N2O — CID 175408649

IUPAC(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2c(c1)CCC(c1ccc(F)cc1)N2
InChIInChI=1S/C19H20F2N2O/c20-10-13(11-22)12-24-17-6-8-19-15(9-17)3-7-18(23-19)14-1-4-16(21)5-2-14/h1-2,4-6,8-10,18,23H,3,7,11-12,22H2/b13-10+
InChIKeyCZKCRHRTMGUGAA-JLHYYAGUSA-N
MW330.38 g/mol
LogP4.12
Rot. Bonds5

About (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine (PubChem CID 175408649) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine
PubChem CID175408649
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2c(c1)CCC(c1ccc(F)cc1)N2
InChIInChI=1S/C19H20F2N2O/c20-10-13(11-22)12-24-17-6-8-19-15(9-17)3-7-18(23-19)14-1-4-16(21)5-2-14/h1-2,4-6,8-10,18,23H,3,7,11-12,22H2/b13-10+
InChIKeyCZKCRHRTMGUGAA-JLHYYAGUSA-N
XLogP4.12
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indol-7-yloxymethyl)-3-fluoroprop-2-en-1-amine
CID 175408508
7-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 142613389
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
CID 170390923
7-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 142613307
(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
CID 162496698
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
CID 146427565
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(2-fluorophenyl)-3,4-dihydroisoquinolin-1-one
CID 142613419
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
7-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,4-dihydro-2H-isoquinolin-1-one;2,2,2-trifluoroacetic acid
CID 146417817
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-propyl-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 159076818
S-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]thiohydroxylamine
CID 134376744

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine (CID 175408649) is (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine is NC/C(=C\F)COc1ccc2c(c1)CCC(c1ccc(F)cc1)N2.
What is the InChIKey of (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The InChIKey is CZKCRHRTMGUGAA-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-10-13(11-22)12-24-17-6-8-19-15(9-17)3-7-18(23-19)14-1-4-16(21)5-2-14/h1-2,4-6,8-10,18,23H,3,7,11-12,22H2/b13-10+.
What are the key properties of (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine has a molecular weight of 330.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 175408649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).