2-(2-aminoethyl)aniline;ethane

C10H18N2 — CID 90745291

IUPAC2-(2-aminoethyl)aniline;ethane
SMILESCC.NCCc1ccccc1N
InChIInChI=1S/C8H12N2.C2H6/c9-6-5-7-3-1-2-4-8(7)10;1-2/h1-4H,5-6,9-10H2;1-2H3
InChIKeyPEWKOUKKHBSHAW-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-aminoethyl)aniline;ethane

2-(2-aminoethyl)aniline;ethane (PubChem CID 90745291) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)aniline;ethane.

Molecular Properties

Compound Name2-(2-aminoethyl)aniline;ethane
PubChem CID90745291
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(2-aminoethyl)aniline;ethane
SMILESCC.NCCc1ccccc1N
InChIInChI=1S/C8H12N2.C2H6/c9-6-5-7-3-1-2-4-8(7)10;1-2/h1-4H,5-6,9-10H2;1-2H3
InChIKeyPEWKOUKKHBSHAW-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)aniline;ethane
CID 90697767
ethane;2-ethylaniline
CID 90841248
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
ethane;2-(3-methylbutyl)aniline
CID 143042088
2-(aminomethyl)aniline;hydrochloride
CID 69170371
2-ethylaniline;propane
CID 143529464
2-tetradecylaniline
CID 22218918
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732
benzene-1,2-diamine;ethane-1,2-diamine
CID 20510389
2-(2-ethoxyethyl)aniline
CID 14619442
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
2-[2-(2-fluoroethoxy)ethyl]aniline
CID 102902179

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)aniline;ethane?
The IUPAC name of 2-(2-aminoethyl)aniline;ethane (CID 90745291) is 2-(2-aminoethyl)aniline;ethane.
What is the SMILES notation for 2-(2-aminoethyl)aniline;ethane?
The canonical SMILES for 2-(2-aminoethyl)aniline;ethane is CC.NCCc1ccccc1N.
What is the InChIKey of 2-(2-aminoethyl)aniline;ethane?
The InChIKey is PEWKOUKKHBSHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c9-6-5-7-3-1-2-4-8(7)10;1-2/h1-4H,5-6,9-10H2;1-2H3.
What are the key properties of 2-(2-aminoethyl)aniline;ethane?
2-(2-aminoethyl)aniline;ethane has a molecular weight of 166.27 g/mol, XLogP of 1.80, 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;ethane is sourced from PubChem (CID 90745291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).