N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine

C20H27FN2O — CID 165127675

IUPACN-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine
SMILESC=C(C(=C/C)/C=N/C)c1cc(C)cc(F)c1N(C)C1CCCCO1
InChIInChI=1S/C20H27FN2O/c1-6-16(13-22-4)15(3)17-11-14(2)12-18(21)20(17)23(5)19-9-7-8-10-24-19/h6,11-13,19H,3,7-10H2,1-2,4-5H3/b16-6+,22-13+
InChIKeyRTZKGIARGPYQGF-YJTPUARESA-N
MW330.45 g/mol
LogP4.76
Rot. Bonds5

About N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine

N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine (PubChem CID 165127675) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine
PubChem CID165127675
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC NameN-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine
SMILESC=C(C(=C/C)/C=N/C)c1cc(C)cc(F)c1N(C)C1CCCCO1
InChIInChI=1S/C20H27FN2O/c1-6-16(13-22-4)15(3)17-11-14(2)12-18(21)20(17)23(5)19-9-7-8-10-24-19/h6,11-13,19H,3,7-10H2,1-2,4-5H3/b16-6+,22-13+
InChIKeyRTZKGIARGPYQGF-YJTPUARESA-N
XLogP4.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine?
The IUPAC name of N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine (CID 165127675) is N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine.
What is the SMILES notation for N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine?
The canonical SMILES for N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine is C=C(C(=C/C)/C=N/C)c1cc(C)cc(F)c1N(C)C1CCCCO1.
What is the InChIKey of N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine?
The InChIKey is RTZKGIARGPYQGF-YJTPUARESA-N. The full InChI is InChI=1S/C20H27FN2O/c1-6-16(13-22-4)15(3)17-11-14(2)12-18(21)20(17)23(5)19-9-7-8-10-24-19/h6,11-13,19H,3,7-10H2,1-2,4-5H3/b16-6+,22-13+.
What are the key properties of N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine?
N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine has a molecular weight of 330.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-6-[(3Z)-3-(methyliminomethyl)penta-1,3-dien-2-yl]phenyl]-N-methyloxan-2-amine is sourced from PubChem (CID 165127675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).