4-methyl-3-pentan-2-yloxyaniline

C12H19NO — CID 107890554

IUPAC4-methyl-3-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(N)ccc1C
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-11(13)7-6-9(12)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyDJVLSSVBJPPAIQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.14
Rot. Bonds4

About 4-methyl-3-pentan-2-yloxyaniline

4-methyl-3-pentan-2-yloxyaniline (PubChem CID 107890554) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-3-pentan-2-yloxyaniline.

Molecular Properties

Compound Name4-methyl-3-pentan-2-yloxyaniline
PubChem CID107890554
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-3-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(N)ccc1C
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-11(13)7-6-9(12)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyDJVLSSVBJPPAIQ-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'}

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Related Compounds

3-methyl-4-pentan-2-yloxyaniline
CID 102980374
3-(1-ethoxyethoxy)-4-methylaniline
CID 70635531
3-(difluoromethyl)-4-pentan-2-yloxyaniline
CID 102980344
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
3-iodo-4-octan-2-yloxyaniline
CID 66093590
3-(2-methyl-5-propan-2-ylphenoxy)heptan-4-ol
CID 63465952
3-hexadecoxy-4-methylaniline
CID 57081496

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pentan-2-yloxyaniline?
The IUPAC name of 4-methyl-3-pentan-2-yloxyaniline (CID 107890554) is 4-methyl-3-pentan-2-yloxyaniline.
What is the SMILES notation for 4-methyl-3-pentan-2-yloxyaniline?
The canonical SMILES for 4-methyl-3-pentan-2-yloxyaniline is CCCC(C)Oc1cc(N)ccc1C.
What is the InChIKey of 4-methyl-3-pentan-2-yloxyaniline?
The InChIKey is DJVLSSVBJPPAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-11(13)7-6-9(12)2/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 4-methyl-3-pentan-2-yloxyaniline?
4-methyl-3-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 4-methyl-3-pentan-2-yloxyaniline is sourced from PubChem (CID 107890554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).