2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine

C15H18F3NO — CID 114620693

IUPAC2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OC2C=CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-10-11(8-9-19)6-7-14(13)20-12-4-2-1-3-5-12/h2,4,6-7,10,12H,1,3,5,8-9,19H2
InChIKeyDOICTDJUUJOGCO-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.69
Rot. Bonds4

About 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine

2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 114620693) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID114620693
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1ccc(OC2C=CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-10-11(8-9-19)6-7-14(13)20-12-4-2-1-3-5-12/h2,4,6-7,10,12H,1,3,5,8-9,19H2
InChIKeyDOICTDJUUJOGCO-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyclohex-2-en-1-yloxy-3-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 107688657
(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)methanamine
CID 114619870
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
1-[4-cycloheptyloxy-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82925757
2-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)ethanamine
CID 114620711
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
CID 114620297
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
CID 114620675
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 102968834

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine (CID 114620693) is 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine is NCCc1ccc(OC2C=CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DOICTDJUUJOGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)13-10-11(8-9-19)6-7-14(13)20-12-4-2-1-3-5-12/h2,4,6-7,10,12H,1,3,5,8-9,19H2.
What are the key properties of 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 285.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclohex-2-en-1-yloxy-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 114620693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).