1-[(1E)-cycloocten-1-yl]-2-phenylethanamine

C16H23N — CID 106652454

IUPAC1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)/C1=C/CCCCCC1
InChIInChI=1S/C16H23N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h4-6,9-11,16H,1-3,7-8,12-13,17H2/b15-11+
InChIKeyBJBDFODAJWURIT-RVDMUPIBSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine

1-[(1E)-cycloocten-1-yl]-2-phenylethanamine (PubChem CID 106652454) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
PubChem CID106652454
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
SMILESNC(Cc1ccccc1)/C1=C/CCCCCC1
InChIInChI=1S/C16H23N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h4-6,9-11,16H,1-3,7-8,12-13,17H2/b15-11+
InChIKeyBJBDFODAJWURIT-RVDMUPIBSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-2-pyridin-3-ylethanamine
CID 106652772
1-(cyclohexen-1-yl)-4-phenylbutan-1-amine
CID 106657277
1-[(1E)-cycloocten-1-yl]-2-(2-methylphenyl)ethanamine
CID 106652690
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
CID 62078868
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
2-(2-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]ethanamine
CID 106652878
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
cyclohepten-1-yl-(1-phenylcyclopropyl)methanamine
CID 62881918

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine (CID 106652454) is 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine is NC(Cc1ccccc1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine?
The InChIKey is BJBDFODAJWURIT-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H23N/c17-16(13-14-9-5-4-6-10-14)15-11-7-2-1-3-8-12-15/h4-6,9-11,16H,1-3,7-8,12-13,17H2/b15-11+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine?
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-2-phenylethanamine is sourced from PubChem (CID 106652454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).