2-(2-aminoethyl)aniline

C8H12N2 — CID 2750512

IUPAC2-(2-aminoethyl)aniline
SMILESNCCc1ccccc1N
InChIInChI=1S/C8H12N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,9-10H2
InChIKeyOEWYVHJLQDINFS-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.77
Rot. Bonds2

About 2-(2-aminoethyl)aniline

2-(2-aminoethyl)aniline (PubChem CID 2750512) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)aniline
PubChem CID2750512
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(2-aminoethyl)aniline
SMILESNCCc1ccccc1N
InChIInChI=1S/C8H12N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,9-10H2
InChIKeyOEWYVHJLQDINFS-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)aniline (CID 2750512) is 2-(2-aminoethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)aniline is NCCc1ccccc1N.
What is the InChIKey of 2-(2-aminoethyl)aniline?
The InChIKey is OEWYVHJLQDINFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,9-10H2.
What are the key properties of 2-(2-aminoethyl)aniline?
2-(2-aminoethyl)aniline has a molecular weight of 136.20 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)aniline is sourced from PubChem (CID 2750512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).