3-[(2R)-2-aminobutan-2-yl]aniline

C10H16N2 — CID 131128672

IUPAC3-[(2R)-2-aminobutan-2-yl]aniline
SMILESCC[C@@](C)(N)c1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-3-10(2,12)8-5-4-6-9(11)7-8/h4-7H,3,11-12H2,1-2H3/t10-/m1/s1
InChIKeyZXUURCWGAGBTHW-SNVBAGLBSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds2

About 3-[(2R)-2-aminobutan-2-yl]aniline

3-[(2R)-2-aminobutan-2-yl]aniline (PubChem CID 131128672) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(2R)-2-aminobutan-2-yl]aniline.

Molecular Properties

Compound Name3-[(2R)-2-aminobutan-2-yl]aniline
PubChem CID131128672
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-[(2R)-2-aminobutan-2-yl]aniline
SMILESCC[C@@](C)(N)c1cccc(N)c1
InChIInChI=1S/C10H16N2/c1-3-10(2,12)8-5-4-6-9(11)7-8/h4-7H,3,11-12H2,1-2H3/t10-/m1/s1
InChIKeyZXUURCWGAGBTHW-SNVBAGLBSA-N
XLogP1.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-aminobutan-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butylaniline;tert-butylbenzene
CID 158494400
3-tert-butylaniline;hydrobromide
CID 155928054
(3-aminophenyl)methanetriamine
CID 175509279
3-(1-fluoro-2-methylpropan-2-yl)aniline
CID 105433528
1-amino-1-(3-aminophenyl)-3,3-dideuteriopropan-1-ol
CID 141417035
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
2-(3-aminophenyl)-4-methylpentan-2-ol
CID 89270411
3-(1-amino-2,3-dimethylbutan-2-yl)aniline
CID 117048034
1-[3-(2-amino-2-phenylpropyl)phenyl]-2-phenylpropan-2-amine
CID 175440072
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-amine
CID 116542994
aniline;3-(trifluoromethyl)aniline
CID 160634583
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminobutan-2-yl]aniline?
The IUPAC name of 3-[(2R)-2-aminobutan-2-yl]aniline (CID 131128672) is 3-[(2R)-2-aminobutan-2-yl]aniline.
What is the SMILES notation for 3-[(2R)-2-aminobutan-2-yl]aniline?
The canonical SMILES for 3-[(2R)-2-aminobutan-2-yl]aniline is CC[C@@](C)(N)c1cccc(N)c1.
What is the InChIKey of 3-[(2R)-2-aminobutan-2-yl]aniline?
The InChIKey is ZXUURCWGAGBTHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-10(2,12)8-5-4-6-9(11)7-8/h4-7H,3,11-12H2,1-2H3/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-aminobutan-2-yl]aniline?
3-[(2R)-2-aminobutan-2-yl]aniline has a molecular weight of 164.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminobutan-2-yl]aniline is sourced from PubChem (CID 131128672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).