4-butan-2-yloxyaniline

C10H15NO — CID 13097722

IUPAC4-butan-2-yloxyaniline
SMILESCCC(C)Oc1ccc(N)cc1
InChIInChI=1S/C10H15NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3
InChIKeyKBARUYSFNLJALB-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.45
Rot. Bonds3

About 4-butan-2-yloxyaniline

4-butan-2-yloxyaniline (PubChem CID 13097722) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-butan-2-yloxyaniline.

Molecular Properties

Compound Name4-butan-2-yloxyaniline
PubChem CID13097722
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-butan-2-yloxyaniline
SMILESCCC(C)Oc1ccc(N)cc1
InChIInChI=1S/C10H15NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3
InChIKeyKBARUYSFNLJALB-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-butan-2-yloxyaniline 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

4-(4-aminobutan-2-yloxy)aniline
CID 156542424
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
4-butan-2-yloxy-N-methylaniline
CID 54803415
4-(1-ethoxyethoxy)aniline
CID 139920192
4-[1-(1-phenylpropoxy)propan-2-yloxy]aniline
CID 67651993
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
4-butan-2-yloxybenzoic acid
CID 5132695

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxyaniline?
The IUPAC name of 4-butan-2-yloxyaniline (CID 13097722) is 4-butan-2-yloxyaniline.
What is the SMILES notation for 4-butan-2-yloxyaniline?
The canonical SMILES for 4-butan-2-yloxyaniline is CCC(C)Oc1ccc(N)cc1.
What is the InChIKey of 4-butan-2-yloxyaniline?
The InChIKey is KBARUYSFNLJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3.
What are the key properties of 4-butan-2-yloxyaniline?
4-butan-2-yloxyaniline has a molecular weight of 165.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxyaniline is sourced from PubChem (CID 13097722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).