2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

About 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide

2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (PubChem CID 156872853) has the molecular formula C26H33F5N4O3 and a molecular weight of 544.57 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.

Molecular Properties

Compound Name	2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
PubChem CID	156872853
Molecular Formula	C26H33F5N4O3
Molecular Weight	544.57 g/mol
Exact Mass	544.25
IUPAC Name	2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide
SMILES	CCc1nc(C(CNC=O)C(F)(F)F)cc2c1OCC2(CF)CF.COc1cc(C)cc(/C=C(/C)N)c1N
InChI	InChI=1S/C15H17F5N2O2.C11H16N2O/c1-2-11-13-9(14(5-16,6-17)7-24-13)3-12(22-11)10(4-21-8-23)15(18,19)20;1-7-4-9(6-8(2)12)11(13)10(5-7)14-3/h3,8,10H,2,4-7H2,1H3,(H,21,23);4-6H,12-13H2,1-3H3/b;8-6-
InChIKey	DTJRLKZDWULWJQ-SEUOEIGTSA-N
XLogP	4.51
TPSA	112.49 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.57
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?

The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide (CID 156872853) is 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide.

What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?

The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is CCc1nc(C(CNC=O)C(F)(F)F)cc2c1OCC2(CF)CF.COc1cc(C)cc(/C=C(/C)N)c1N.

What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?

The InChIKey is DTJRLKZDWULWJQ-SEUOEIGTSA-N. The full InChI is InChI=1S/C15H17F5N2O2.C11H16N2O/c1-2-11-13-9(14(5-16,6-17)7-24-13)3-12(22-11)10(4-21-8-23)15(18,19)20;1-7-4-9(6-8(2)12)11(13)10(5-7)14-3/h3,8,10H,2,4-7H2,1H3,(H,21,23);4-6H,12-13H2,1-3H3/b;8-6-.

What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide?

2-[(Z)-2-aminoprop-1-enyl]-6-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide has a molecular weight of 544.57 g/mol, XLogP of 4.51, 9 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-methoxy-4-methylaniline;N-[2-[7-ethyl-3,3-bis(fluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]formamide is sourced from PubChem (CID 156872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).