2-(1-aminobutyl)-4-ethylaniline

C12H20N2 — CID 83987997

IUPAC2-(1-aminobutyl)-4-ethylaniline
SMILESCCCC(N)c1cc(CC)ccc1N
InChIInChI=1S/C12H20N2/c1-3-5-11(13)10-8-9(4-2)6-7-12(10)14/h6-8,11H,3-5,13-14H2,1-2H3
InChIKeyMTGXNGNBPNHKQZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-aminobutyl)-4-ethylaniline

2-(1-aminobutyl)-4-ethylaniline (PubChem CID 83987997) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(1-aminobutyl)-4-ethylaniline.

Molecular Properties

Compound Name2-(1-aminobutyl)-4-ethylaniline
PubChem CID83987997
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(1-aminobutyl)-4-ethylaniline
SMILESCCCC(N)c1cc(CC)ccc1N
InChIInChI=1S/C12H20N2/c1-3-5-11(13)10-8-9(4-2)6-7-12(10)14/h6-8,11H,3-5,13-14H2,1-2H3
InChIKeyMTGXNGNBPNHKQZ-UHFFFAOYSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.63
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-(1-aminobutyl)-4-ethylaniline?
The IUPAC name of 2-(1-aminobutyl)-4-ethylaniline (CID 83987997) is 2-(1-aminobutyl)-4-ethylaniline.
What is the SMILES notation for 2-(1-aminobutyl)-4-ethylaniline?
The canonical SMILES for 2-(1-aminobutyl)-4-ethylaniline is CCCC(N)c1cc(CC)ccc1N.
What is the InChIKey of 2-(1-aminobutyl)-4-ethylaniline?
The InChIKey is MTGXNGNBPNHKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-5-11(13)10-8-9(4-2)6-7-12(10)14/h6-8,11H,3-5,13-14H2,1-2H3.
What are the key properties of 2-(1-aminobutyl)-4-ethylaniline?
2-(1-aminobutyl)-4-ethylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-4-ethylaniline is sourced from PubChem (CID 83987997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).