(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate

C17H17FN2O — CID 143470304

IUPAC(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=C(\N)c1ccccc1C)OCc1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-12-6-2-4-8-14(12)16(19)10-17(20)21-11-13-7-3-5-9-15(13)18/h2-10,20H,11,19H2,1H3/b16-10-,20-17-
InChIKeyMIECAPCUKKENEA-FPXKFUBASA-N
MW284.33 g/mol
LogP3.63
Rot. Bonds4

About (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate

(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate (PubChem CID 143470304) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate
PubChem CID143470304
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate
SMILES[H]/N=C(/C=C(\N)c1ccccc1C)OCc1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-12-6-2-4-8-14(12)16(19)10-17(20)21-11-13-7-3-5-9-15(13)18/h2-10,20H,11,19H2,1H3/b16-10-,20-17-
InChIKeyMIECAPCUKKENEA-FPXKFUBASA-N
XLogP3.63
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate?
The IUPAC name of (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate (CID 143470304) is (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate.
What is the SMILES notation for (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate?
The canonical SMILES for (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate is [H]/N=C(/C=C(\N)c1ccccc1C)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate?
The InChIKey is MIECAPCUKKENEA-FPXKFUBASA-N. The full InChI is InChI=1S/C17H17FN2O/c1-12-6-2-4-8-14(12)16(19)10-17(20)21-11-13-7-3-5-9-15(13)18/h2-10,20H,11,19H2,1H3/b16-10-,20-17-.
What are the key properties of (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate?
(2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate has a molecular weight of 284.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (Z)-3-amino-3-(2-methylphenyl)prop-2-enimidate is sourced from PubChem (CID 143470304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).