2-methyl-4-pentan-2-yloxyaniline

C12H19NO — CID 102980398

IUPAC2-methyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-11-6-7-12(13)9(2)8-11/h6-8,10H,4-5,13H2,1-3H3
InChIKeyZZNJTOHYOVDGSM-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-4-pentan-2-yloxyaniline

2-methyl-4-pentan-2-yloxyaniline (PubChem CID 102980398) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-4-pentan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-4-pentan-2-yloxyaniline
PubChem CID102980398
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N)c(C)c1
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-11-6-7-12(13)9(2)8-11/h6-8,10H,4-5,13H2,1-3H3
InChIKeyZZNJTOHYOVDGSM-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-pentan-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-(1-ethoxypropan-2-yloxy)-2-methylaniline
CID 103486534
4-[4-(azepan-1-yl)butan-2-yloxy]-2-methylaniline
CID 82037200
1-ethenyl-2-methyl-4-pentan-2-yloxybenzene
CID 139784110
3-(2-methyl-4-pentan-2-yloxyphenyl)prop-2-yn-1-amine
CID 107885433
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
4-pentan-2-yloxybenzohydrazide
CID 57267352
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
1-(4-chlorobut-1-ynyl)-2-methyl-4-pentan-2-yloxybenzene
CID 114012779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentan-2-yloxyaniline?
The IUPAC name of 2-methyl-4-pentan-2-yloxyaniline (CID 102980398) is 2-methyl-4-pentan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-4-pentan-2-yloxyaniline?
The canonical SMILES for 2-methyl-4-pentan-2-yloxyaniline is CCCC(C)Oc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-pentan-2-yloxyaniline?
The InChIKey is ZZNJTOHYOVDGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10(3)14-11-6-7-12(13)9(2)8-11/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 2-methyl-4-pentan-2-yloxyaniline?
2-methyl-4-pentan-2-yloxyaniline has a molecular weight of 193.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentan-2-yloxyaniline is sourced from PubChem (CID 102980398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).