2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine

C16H23F3N2 — CID 158815051

IUPAC2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
SMILESNCCC1=CCCCC1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N.C8H15N/c9-8(10,11)7-3-1-6(5-12)2-4-7;9-7-6-8-4-2-1-3-5-8/h1-4H,5,12H2;4H,1-3,5-7,9H2
InChIKeyIVDUWHCDQCMJJB-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.00
Rot. Bonds3

About 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine

2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 158815051) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
PubChem CID158815051
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
SMILESNCCC1=CCCCC1.NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N.C8H15N/c9-8(10,11)7-3-1-6(5-12)2-4-7;9-7-6-8-4-2-1-3-5-8/h1-4H,5,12H2;4H,1-3,5-7,9H2
InChIKeyIVDUWHCDQCMJJB-UHFFFAOYSA-N
XLogP4.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine (CID 158815051) is 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine is NCCC1=CCCCC1.NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IVDUWHCDQCMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C8H15N/c9-8(10,11)7-3-1-6(5-12)2-4-7;9-7-6-8-4-2-1-3-5-8/h1-4H,5,12H2;4H,1-3,5-7,9H2.
What are the key properties of 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine?
2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 158815051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).