(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine

C15H21FN2O — CID 155718621

IUPAC(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine
SMILESC=C(/N=C(\CC)[C@H](N)[C@@H](C)OC)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-5-14(15(17)11(3)19-4)18-10(2)12-7-6-8-13(16)9-12/h6-9,11,15H,2,5,17H2,1,3-4H3/b18-14+/t11-,15-/m1/s1
InChIKeyGULRIPLRARHFDG-MEEWVNPOSA-N
MW264.34 g/mol
LogP3.01
Rot. Bonds6

About (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine

(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine (PubChem CID 155718621) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine.

Molecular Properties

Compound Name(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine
PubChem CID155718621
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine
SMILESC=C(/N=C(\CC)[C@H](N)[C@@H](C)OC)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-5-14(15(17)11(3)19-4)18-10(2)12-7-6-8-13(16)9-12/h6-9,11,15H,2,5,17H2,1,3-4H3/b18-14+/t11-,15-/m1/s1
InChIKeyGULRIPLRARHFDG-MEEWVNPOSA-N
XLogP3.01
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine?
The IUPAC name of (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine (CID 155718621) is (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine.
What is the SMILES notation for (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine?
The canonical SMILES for (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine is C=C(/N=C(\CC)[C@H](N)[C@@H](C)OC)c1cccc(F)c1.
What is the InChIKey of (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine?
The InChIKey is GULRIPLRARHFDG-MEEWVNPOSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-5-14(15(17)11(3)19-4)18-10(2)12-7-6-8-13(16)9-12/h6-9,11,15H,2,5,17H2,1,3-4H3/b18-14+/t11-,15-/m1/s1.
What are the key properties of (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine?
(2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine has a molecular weight of 264.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[1-(3-fluorophenyl)ethenylimino]-2-methoxyhexan-3-amine is sourced from PubChem (CID 155718621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).