(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine

C13H14FN — CID 89170597

IUPAC(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)c1ccccc1F
InChIInChI=1S/C13H14FN/c1-3-6-10(2)9-13(15)11-7-4-5-8-12(11)14/h3-9H,1,15H2,2H3/b10-6-,13-9-
InChIKeyTXPBLJLXJZUKKV-FPXZMEGYSA-N
MW203.26 g/mol
LogP3.26
Rot. Bonds3

About (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine (PubChem CID 89170597) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine
PubChem CID89170597
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC Name(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C(C)\C=C(/N)c1ccccc1F
InChIInChI=1S/C13H14FN/c1-3-6-10(2)9-13(15)11-7-4-5-8-12(11)14/h3-9H,1,15H2,2H3/b10-6-,13-9-
InChIKeyTXPBLJLXJZUKKV-FPXZMEGYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine (CID 89170597) is (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine is C=C/C=C(C)\C=C(/N)c1ccccc1F.
What is the InChIKey of (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine?
The InChIKey is TXPBLJLXJZUKKV-FPXZMEGYSA-N. The full InChI is InChI=1S/C13H14FN/c1-3-6-10(2)9-13(15)11-7-4-5-8-12(11)14/h3-9H,1,15H2,2H3/b10-6-,13-9-.
What are the key properties of (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine has a molecular weight of 203.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-(2-fluorophenyl)-3-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89170597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).