4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

C22H26FN — CID 10451114

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN/c1-24(2)22(20-6-4-3-5-7-20)16-14-19(15-17-22)9-8-18-10-12-21(23)13-11-18/h3-13,19H,14-17H2,1-2H3/b9-8+
InChIKeyJWCXHVWOWUIQNG-CMDGGOBGSA-N
MW323.46 g/mol
LogP5.49
Rot. Bonds4

About 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine

4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (PubChem CID 10451114) has the molecular formula C22H26FN and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
PubChem CID10451114
Molecular FormulaC22H26FN
Molecular Weight323.46 g/mol
Exact Mass323.20
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine
SMILESCN(C)C1(c2ccccc2)CCC(/C=C/c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN/c1-24(2)22(20-6-4-3-5-7-20)16-14-19(15-17-22)9-8-18-10-12-21(23)13-11-18/h3-13,19H,14-17H2,1-2H3/b9-8+
InChIKeyJWCXHVWOWUIQNG-CMDGGOBGSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine (CID 10451114) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is CN(C)C1(c2ccccc2)CCC(/C=C/c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
The InChIKey is JWCXHVWOWUIQNG-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H26FN/c1-24(2)22(20-6-4-3-5-7-20)16-14-19(15-17-22)9-8-18-10-12-21(23)13-11-18/h3-13,19H,14-17H2,1-2H3/b9-8+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine?
4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine has a molecular weight of 323.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-N,N-dimethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 10451114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).