(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine

C12H14FN — CID 170244847

IUPAC(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine
SMILESC=C/C(C)=C(/N)Cc1ccccc1F
InChIInChI=1S/C12H14FN/c1-3-9(2)12(14)8-10-6-4-5-7-11(10)13/h3-7H,1,8,14H2,2H3/b12-9+
InChIKeyRUDMXCXMTPNJRT-FMIVXFBMSA-N
MW191.25 g/mol
LogP2.79
Rot. Bonds3

About (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine

(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine (PubChem CID 170244847) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine
PubChem CID170244847
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine
SMILESC=C/C(C)=C(/N)Cc1ccccc1F
InChIInChI=1S/C12H14FN/c1-3-9(2)12(14)8-10-6-4-5-7-11(10)13/h3-7H,1,8,14H2,2H3/b12-9+
InChIKeyRUDMXCXMTPNJRT-FMIVXFBMSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.79
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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N-[(2-fluorophenyl)methyl]but-3-en-2-amine
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N-[(2-fluorophenyl)methoxy]-N-methylhydroxylamine
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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine (CID 170244847) is (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine is C=C/C(C)=C(/N)Cc1ccccc1F.
What is the InChIKey of (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine?
The InChIKey is RUDMXCXMTPNJRT-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H14FN/c1-3-9(2)12(14)8-10-6-4-5-7-11(10)13/h3-7H,1,8,14H2,2H3/b12-9+.
What are the key properties of (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine?
(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine has a molecular weight of 191.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 170244847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).