2-[2-(2-aminophenyl)butan-2-yl]aniline

C16H20N2 — CID 139712406

IUPAC2-[2-(2-aminophenyl)butan-2-yl]aniline
SMILESCCC(C)(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C16H20N2/c1-3-16(2,12-8-4-6-10-14(12)17)13-9-5-7-11-15(13)18/h4-11H,3,17-18H2,1-2H3
InChIKeyPTJRCQWABPDBPW-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.57
Rot. Bonds3

About 2-[2-(2-aminophenyl)butan-2-yl]aniline

2-[2-(2-aminophenyl)butan-2-yl]aniline (PubChem CID 139712406) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)butan-2-yl]aniline
PubChem CID139712406
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[2-(2-aminophenyl)butan-2-yl]aniline
SMILESCCC(C)(c1ccccc1N)c1ccccc1N
InChIInChI=1S/C16H20N2/c1-3-16(2,12-8-4-6-10-14(12)17)13-9-5-7-11-15(13)18/h4-11H,3,17-18H2,1-2H3
InChIKeyPTJRCQWABPDBPW-UHFFFAOYSA-N
XLogP3.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.57
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-(2-aminophenyl)butan-2-yl]aniline?
The IUPAC name of 2-[2-(2-aminophenyl)butan-2-yl]aniline (CID 139712406) is 2-[2-(2-aminophenyl)butan-2-yl]aniline.
What is the SMILES notation for 2-[2-(2-aminophenyl)butan-2-yl]aniline?
The canonical SMILES for 2-[2-(2-aminophenyl)butan-2-yl]aniline is CCC(C)(c1ccccc1N)c1ccccc1N.
What is the InChIKey of 2-[2-(2-aminophenyl)butan-2-yl]aniline?
The InChIKey is PTJRCQWABPDBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-16(2,12-8-4-6-10-14(12)17)13-9-5-7-11-15(13)18/h4-11H,3,17-18H2,1-2H3.
What are the key properties of 2-[2-(2-aminophenyl)butan-2-yl]aniline?
2-[2-(2-aminophenyl)butan-2-yl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)butan-2-yl]aniline is sourced from PubChem (CID 139712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).