(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine

C18H23FN2O3 — CID 146492865

IUPAC(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
SMILESCC(C)OCCOc1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C18H23FN2O3/c1-13(2)22-7-8-23-18-6-3-15-9-16(4-5-17(15)21-18)24-12-14(10-19)11-20/h3-6,9-10,13H,7-8,11-12,20H2,1-2H3/b14-10+
InChIKeyCISSJTGQEGUUFM-GXDHUFHOSA-N
MW334.39 g/mol
LogP3.23
Rot. Bonds9

About (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine

(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine (PubChem CID 146492865) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
PubChem CID146492865
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
SMILESCC(C)OCCOc1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C18H23FN2O3/c1-13(2)22-7-8-23-18-6-3-15-9-16(4-5-17(15)21-18)24-12-14(10-19)11-20/h3-6,9-10,13H,7-8,11-12,20H2,1-2H3/b14-10+
InChIKeyCISSJTGQEGUUFM-GXDHUFHOSA-N
XLogP3.23
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine with MolForge

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Related Compounds

tert-butyl N-[(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146492867
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
CID 175408443
N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
CID 146492847
[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 146492751
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine
CID 146453911
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-propyl-1,3-benzothiazol-2-amine
CID 146453965
(E)-3-fluoro-2-(pyrido[1,2-a]benzimidazol-8-yloxymethyl)prop-2-en-1-amine;hydrochloride
CID 175408426
6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-[(2,6-dimethyl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 175141774
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
CID 162496698
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-[2-[tert-butyl(methyl)amino]ethyl]benzaldehyde
CID 155151137
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-benzyl-1,3-benzoxazol-2-amine
CID 146454125

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine (CID 146492865) is (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine is CC(C)OCCOc1ccc2cc(OC/C(=C/F)CN)ccc2n1.
What is the InChIKey of (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine?
The InChIKey is CISSJTGQEGUUFM-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-13(2)22-7-8-23-18-6-3-15-9-16(4-5-17(15)21-18)24-12-14(10-19)11-20/h3-6,9-10,13H,7-8,11-12,20H2,1-2H3/b14-10+.
What are the key properties of (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine has a molecular weight of 334.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 146492865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).