3-(1-aminoethyl)aniline

C8H12N2 — CID 2771742

IUPAC3-(1-aminoethyl)aniline
SMILESCC(N)c1cccc(N)c1
InChIInChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3
InChIKeyMBWYRMCXWROJMP-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.29
Rot. Bonds1

About 3-(1-aminoethyl)aniline

3-(1-aminoethyl)aniline (PubChem CID 2771742) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-(1-aminoethyl)aniline.

Molecular Properties

Compound Name3-(1-aminoethyl)aniline
PubChem CID2771742
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-(1-aminoethyl)aniline
SMILESCC(N)c1cccc(N)c1
InChIInChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3
InChIKeyMBWYRMCXWROJMP-UHFFFAOYSA-N
XLogP1.29
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.29
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 3-(1-aminoethyl)aniline?
The IUPAC name of 3-(1-aminoethyl)aniline (CID 2771742) is 3-(1-aminoethyl)aniline.
What is the SMILES notation for 3-(1-aminoethyl)aniline?
The canonical SMILES for 3-(1-aminoethyl)aniline is CC(N)c1cccc(N)c1.
What is the InChIKey of 3-(1-aminoethyl)aniline?
The InChIKey is MBWYRMCXWROJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,9-10H2,1H3.
What are the key properties of 3-(1-aminoethyl)aniline?
3-(1-aminoethyl)aniline has a molecular weight of 136.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)aniline is sourced from PubChem (CID 2771742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).