(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine

C14H18FN — CID 142025151

IUPAC(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(C)=C/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-11(10-16-3)4-5-12(2)13-6-8-14(15)9-7-13/h4-9,16H,10H2,1-3H3/b11-4+,12-5+
InChIKeyLBYXJTNBMYQWPY-JLYPQOKGSA-N
MW219.30 g/mol
LogP3.39
Rot. Bonds4

About (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine

(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine (PubChem CID 142025151) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
PubChem CID142025151
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(C)=C/C=C(\C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN/c1-11(10-16-3)4-5-12(2)13-6-8-14(15)9-7-13/h4-9,16H,10H2,1-3H3/b11-4+,12-5+
InChIKeyLBYXJTNBMYQWPY-JLYPQOKGSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide;heptane
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ethyl (E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoate
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(Z)-N-[2-(diethylamino)-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide
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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine (CID 142025151) is (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine is CNC/C(C)=C/C=C(\C)c1ccc(F)cc1.
What is the InChIKey of (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine?
The InChIKey is LBYXJTNBMYQWPY-JLYPQOKGSA-N. The full InChI is InChI=1S/C14H18FN/c1-11(10-16-3)4-5-12(2)13-6-8-14(15)9-7-13/h4-9,16H,10H2,1-3H3/b11-4+,12-5+.
What are the key properties of (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine?
(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine has a molecular weight of 219.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 142025151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).