2-tert-butylaniline

C20H30N2 — CID 159041627

IUPAC2-tert-butylaniline
SMILESCC(C)(C)c1ccccc1N.CC(C)(C)c1ccccc1N
InChIInChI=1S/2C10H15N/c2*1-10(2,3)8-6-4-5-7-9(8)11/h2*4-7H,11H2,1-3H3
InChIKeyJWCZEZHYRGUROL-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.13
Rot. Bonds

About 2-tert-butylaniline

2-tert-butylaniline (PubChem CID 159041627) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-tert-butylaniline.

Molecular Properties

Compound Name2-tert-butylaniline
PubChem CID159041627
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-tert-butylaniline
SMILESCC(C)(C)c1ccccc1N.CC(C)(C)c1ccccc1N
InChIInChI=1S/2C10H15N/c2*1-10(2,3)8-6-4-5-7-9(8)11/h2*4-7H,11H2,1-3H3
InChIKeyJWCZEZHYRGUROL-UHFFFAOYSA-N
XLogP5.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.13
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-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
CID 175472927
CID 175472927
2-[2-(2-aminophenyl)butan-2-yl]aniline
CID 139712406
2-(2-aminophenyl)-2-methylpropanenitrile
CID 59934957
2-(2,4,4-trimethylpentan-2-yl)aniline
CID 67789986
3-(2-aminophenyl)-3-methylbutane-2-thiol
CID 115020412
tris(1,2-ditert-butylbenzene);methanol
CID 175055057
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
3-tert-butyl-2-propan-2-ylaniline
CID 59734465
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
2-(2-nitropropan-2-yl)aniline
CID 88732473
1-(2-aminophenyl)ethane-1,1-disulfonic acid
CID 87755630

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylaniline?
The IUPAC name of 2-tert-butylaniline (CID 159041627) is 2-tert-butylaniline.
What is the SMILES notation for 2-tert-butylaniline?
The canonical SMILES for 2-tert-butylaniline is CC(C)(C)c1ccccc1N.CC(C)(C)c1ccccc1N.
What is the InChIKey of 2-tert-butylaniline?
The InChIKey is JWCZEZHYRGUROL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N/c2*1-10(2,3)8-6-4-5-7-9(8)11/h2*4-7H,11H2,1-3H3.
What are the key properties of 2-tert-butylaniline?
2-tert-butylaniline has a molecular weight of 298.47 g/mol, XLogP of 5.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylaniline is sourced from PubChem (CID 159041627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).