2-[3-(cyclohexen-1-yl)phenyl]ethanamine

C14H19N — CID 115022403

IUPAC2-[3-(cyclohexen-1-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C14H19N/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h4-6,8,11H,1-3,7,9-10,15H2
InChIKeyRSZOORXBWGWFTG-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.15
Rot. Bonds3

About 2-[3-(cyclohexen-1-yl)phenyl]ethanamine

2-[3-(cyclohexen-1-yl)phenyl]ethanamine (PubChem CID 115022403) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)phenyl]ethanamine
PubChem CID115022403
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-[3-(cyclohexen-1-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C14H19N/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h4-6,8,11H,1-3,7,9-10,15H2
InChIKeyRSZOORXBWGWFTG-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(cyclohexen-1-yl)phenyl]ethanamine (CID 115022403) is 2-[3-(cyclohexen-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)phenyl]ethanamine is NCCc1cccc(C2=CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)phenyl]ethanamine?
The InChIKey is RSZOORXBWGWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h4-6,8,11H,1-3,7,9-10,15H2.
What are the key properties of 2-[3-(cyclohexen-1-yl)phenyl]ethanamine?
2-[3-(cyclohexen-1-yl)phenyl]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)phenyl]ethanamine is sourced from PubChem (CID 115022403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).