2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine

C12H20N2 — CID 55266705

IUPAC2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
SMILESCCc1cc(CCN)ccc1CCN
InChIInChI=1S/C12H20N2/c1-2-11-9-10(5-7-13)3-4-12(11)6-8-14/h3-4,9H,2,5-8,13-14H2,1H3
InChIKeyMNYYMXQMCMLVTR-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.25
Rot. Bonds5

About 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine

2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine (PubChem CID 55266705) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
PubChem CID55266705
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
SMILESCCc1cc(CCN)ccc1CCN
InChIInChI=1S/C12H20N2/c1-2-11-9-10(5-7-13)3-4-12(11)6-8-14/h3-4,9H,2,5-8,13-14H2,1H3
InChIKeyMNYYMXQMCMLVTR-UHFFFAOYSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine?
The IUPAC name of 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine (CID 55266705) is 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine?
The canonical SMILES for 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine is CCc1cc(CCN)ccc1CCN.
What is the InChIKey of 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine?
The InChIKey is MNYYMXQMCMLVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-11-9-10(5-7-13)3-4-12(11)6-8-14/h3-4,9H,2,5-8,13-14H2,1H3.
What are the key properties of 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine?
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine has a molecular weight of 192.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine is sourced from PubChem (CID 55266705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).