1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine

C13H20N2 — CID 79677718

IUPAC1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
SMILESCCC1CN(c2cccc(C(C)N)c2)C1
InChIInChI=1S/C13H20N2/c1-3-11-8-15(9-11)13-6-4-5-12(7-13)10(2)14/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyHMBBZQBDWKQZLV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine

1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine (PubChem CID 79677718) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
PubChem CID79677718
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine
SMILESCCC1CN(c2cccc(C(C)N)c2)C1
InChIInChI=1S/C13H20N2/c1-3-11-8-15(9-11)13-6-4-5-12(7-13)10(2)14/h4-7,10-11H,3,8-9,14H2,1-2H3
InChIKeyHMBBZQBDWKQZLV-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine (CID 79677718) is 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine is CCC1CN(c2cccc(C(C)N)c2)C1.
What is the InChIKey of 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine?
The InChIKey is HMBBZQBDWKQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-11-8-15(9-11)13-6-4-5-12(7-13)10(2)14/h4-7,10-11H,3,8-9,14H2,1-2H3.
What are the key properties of 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine?
1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylazetidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79677718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).