2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide

C32H37F5N4O3 — CID 156872491

IUPAC2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
SMILESC/C(N)=C/c1cc(C)cc(OC2CC2)c1N.CC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1.CF
InChIInChI=1S/C18H16F4N2O2.C13H18N2O.CH3F/c1-10-8-26-17-13(10)6-15(14(7-23-9-25)18(20,21)22)24-16(17)11-2-4-12(19)5-3-11;1-8-5-10(7-9(2)14)13(15)12(6-8)16-11-3-4-11;1-2/h2-6,9-10,14H,7-8H2,1H3,(H,23,25);5-7,11H,3-4,14-15H2,1-2H3;1H3/b;9-7-;
InChIKeyCDEFDXWYFFHVMY-ASRJFLFRSA-N
MW620.66 g/mol
LogP6.80
Rot. Bonds8

About 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide

2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide (PubChem CID 156872491) has the molecular formula C32H37F5N4O3 and a molecular weight of 620.66 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide.

Molecular Properties

Compound Name2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
PubChem CID156872491
Molecular FormulaC32H37F5N4O3
Molecular Weight620.66 g/mol
Exact Mass620.28
IUPAC Name2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide
SMILESC/C(N)=C/c1cc(C)cc(OC2CC2)c1N.CC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1.CF
InChIInChI=1S/C18H16F4N2O2.C13H18N2O.CH3F/c1-10-8-26-17-13(10)6-15(14(7-23-9-25)18(20,21)22)24-16(17)11-2-4-12(19)5-3-11;1-8-5-10(7-9(2)14)13(15)12(6-8)16-11-3-4-11;1-2/h2-6,9-10,14H,7-8H2,1H3,(H,23,25);5-7,11H,3-4,14-15H2,1-2H3;1H3/b;9-7-;
InChIKeyCDEFDXWYFFHVMY-ASRJFLFRSA-N
XLogP6.80
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.66
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide with MolForge

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Related Compounds

formamide;3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
CID 156872554
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cyclohexa-1,3-diene-1-carboxamide
CID 123271054
3-fluoro-8-methoxy-2-methyl-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide;formamide
CID 156872800
8-cyclopropyloxy-3-methyl-N-[3,3,3-trifluoro-2-[7-[4-fluoro-3-(1-fluoroethyl)phenyl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]cinnoline-6-carboxamide;formamide
CID 156872939
2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-cyclopropyl-2-[2-(4-fluorophenyl)-3-azabicyclo[4.1.0]hepta-1,3,5-trien-4-yl]ethyl]formamide;ethene;methanamine;methanol;propane
CID 169241324
(E)-2-aminoethenol;5-(2-cyclopropyloxy-4-methylphenyl)-2-(trifluoromethyl)pyridine;N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]formamide;1,1,1-trifluoroethane
CID 156718106
N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
CID 156872756
methanamine;prop-1-yne;N-[3,3,3-trifluoro-2-[3-methyl-7-(4-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]-1,8-naphthyridine-3-carboxamide
CID 156718248
4-[5-[3-[4-amino-3-(cyclopropyliminomethyl)-5-methoxyphenyl]-1,1,1-trifluoropropan-2-yl]-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-7-yl]-2-chlorobenzonitrile;formamide
CID 164910489
3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide
CID 169241599
4-cyclobutyloxy-N-[2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-3-methoxybenzamide
CID 144796013
4-cyclopropyloxy-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-2-pyridinyl]propyl]benzamide
CID 123769132

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide?
The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide (CID 156872491) is 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide.
What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide?
The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide is C/C(N)=C/c1cc(C)cc(OC2CC2)c1N.CC1COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1.CF.
What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide?
The InChIKey is CDEFDXWYFFHVMY-ASRJFLFRSA-N. The full InChI is InChI=1S/C18H16F4N2O2.C13H18N2O.CH3F/c1-10-8-26-17-13(10)6-15(14(7-23-9-25)18(20,21)22)24-16(17)11-2-4-12(19)5-3-11;1-8-5-10(7-9(2)14)13(15)12(6-8)16-11-3-4-11;1-2/h2-6,9-10,14H,7-8H2,1H3,(H,23,25);5-7,11H,3-4,14-15H2,1-2H3;1H3/b;9-7-;.
What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide?
2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide has a molecular weight of 620.66 g/mol, XLogP of 6.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;fluoromethane;N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]formamide is sourced from PubChem (CID 156872491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).