2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine

C14H17N — CID 23459455

IUPAC2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine
SMILESNCCC1(c2ccccc2)C=CCC=C1
InChIInChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1,3-10H,2,11-12,15H2
InChIKeyZSWGJNMNTHUKPI-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.79
Rot. Bonds3

About 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine

2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine (PubChem CID 23459455) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine
PubChem CID23459455
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine
SMILESNCCC1(c2ccccc2)C=CCC=C1
InChIInChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1,3-10H,2,11-12,15H2
InChIKeyZSWGJNMNTHUKPI-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine?
The IUPAC name of 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine (CID 23459455) is 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine?
The canonical SMILES for 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine is NCCC1(c2ccccc2)C=CCC=C1.
What is the InChIKey of 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine?
The InChIKey is ZSWGJNMNTHUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c15-12-11-14(9-5-2-6-10-14)13-7-3-1-4-8-13/h1,3-10H,2,11-12,15H2.
What are the key properties of 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine?
2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine has a molecular weight of 199.30 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 2-(1-phenylcyclohexa-2,5-dien-1-yl)ethanamine is sourced from PubChem (CID 23459455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).