(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine

C15H17ClF3N — CID 162555763

IUPAC(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine
SMILESC/C(Cl)=C\C=C(/C)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17ClF3N/c1-11(16)3-4-12(2)20-10-9-13-5-7-14(8-6-13)15(17,18)19/h3-8,20H,9-10H2,1-2H3/b11-3+,12-4+
InChIKeyFCFPKMGIANXIIC-HMMKTVFPSA-N
MW303.76 g/mol
LogP4.88
Rot. Bonds5

About (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine

(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine (PubChem CID 162555763) has the molecular formula C15H17ClF3N and a molecular weight of 303.76 g/mol. Its IUPAC name is (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine
PubChem CID162555763
Molecular FormulaC15H17ClF3N
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine
SMILESC/C(Cl)=C\C=C(/C)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17ClF3N/c1-11(16)3-4-12(2)20-10-9-13-5-7-14(8-6-13)15(17,18)19/h3-8,20H,9-10H2,1-2H3/b11-3+,12-4+
InChIKeyFCFPKMGIANXIIC-HMMKTVFPSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.88
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

2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-(2-methylprop-2-enyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111027401
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287
1-ethyl-2-(2-hydroxyethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295493
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111837708
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine (CID 162555763) is (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine is C/C(Cl)=C\C=C(/C)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine?
The InChIKey is FCFPKMGIANXIIC-HMMKTVFPSA-N. The full InChI is InChI=1S/C15H17ClF3N/c1-11(16)3-4-12(2)20-10-9-13-5-7-14(8-6-13)15(17,18)19/h3-8,20H,9-10H2,1-2H3/b11-3+,12-4+.
What are the key properties of (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine?
(2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine has a molecular weight of 303.76 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]hexa-2,4-dien-2-amine is sourced from PubChem (CID 162555763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).