(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine

C13H17FN2 — CID 145107629

IUPAC(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-3-4-8-12(16-2)13(15)10-6-5-7-11(14)9-10/h4-9,13H,3,15H2,1-2H3/b8-4-,16-12+
InChIKeyRFBUQVRDYBIIQM-QGJJDLPASA-N
MW220.29 g/mol
LogP2.86
Rot. Bonds4

About (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine

(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine (PubChem CID 145107629) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine
PubChem CID145107629
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(=N/C)C(N)c1cccc(F)c1
InChIInChI=1S/C13H17FN2/c1-3-4-8-12(16-2)13(15)10-6-5-7-11(14)9-10/h4-9,13H,3,15H2,1-2H3/b8-4-,16-12+
InChIKeyRFBUQVRDYBIIQM-QGJJDLPASA-N
XLogP2.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Fluorophenyl)ethylamine
CID 123063
(S)-1-(4-Fluorophenyl)-ethylamine
CID 2779063
(1R)-(+)-1-(4-Fluorophenyl)ethylamine
CID 6950187
N'-(1-phenylpropyl)ethanimidamide;hydrobromide
CID 25231660
(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
(1R)-1-(2-Fluorophenyl)ethylamine
CID 2782361
1-(3,4-Difluorophenyl)ethanamine
CID 3815974
(R)-1-(3-fluorophenyl)ethanamine
CID 7016260
(S)-1-(2-Fluorophenyl)ethylamine
CID 7023579
(1S)-1-(3-Fluorophenyl)ethylamine
CID 7127576
1-(4-Fluorophenyl)-1-propanamine
CID 6483901
1-(4-Fluorophenyl)pentan-1-amine
CID 18507876

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine?
The IUPAC name of (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine (CID 145107629) is (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine is CC/C=C\C(=N/C)C(N)c1cccc(F)c1.
What is the InChIKey of (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine?
The InChIKey is RFBUQVRDYBIIQM-QGJJDLPASA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-4-8-12(16-2)13(15)10-6-5-7-11(14)9-10/h4-9,13H,3,15H2,1-2H3/b8-4-,16-12+.
What are the key properties of (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine?
(Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluorophenyl)-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 145107629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).