3-methyl-4-pentan-2-yloxyaniline

C12H19NO — CID 102980374

IUPAC3-methyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N)cc1C
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-7-6-11(13)8-9(12)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyXDWDGBRSKAEXKN-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.14
Rot. Bonds4

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

3-methyl-4-pentan-2-yloxyaniline (PubChem CID 102980374) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-methyl-4-pentan-2-yloxyaniline.

Molecular Properties

Compound Name3-methyl-4-pentan-2-yloxyaniline
PubChem CID102980374
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-methyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N)cc1C
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-7-6-11(13)8-9(12)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyXDWDGBRSKAEXKN-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

4-methyl-3-pentan-2-yloxyaniline
CID 107890554
3-(difluoromethyl)-4-pentan-2-yloxyaniline
CID 102980344
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
3-iodo-4-octan-2-yloxyaniline
CID 66093590
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
4-benzhydryloxy-3-methylaniline
CID 67820870
4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
CID 139784088
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
4-methyl-2-pentan-2-yloxybenzonitrile
CID 102981671
4-(4-bromo-2-methylphenoxy)pentan-1-amine
CID 63217030

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentan-2-yloxyaniline?
The IUPAC name of 3-methyl-4-pentan-2-yloxyaniline (CID 102980374) is 3-methyl-4-pentan-2-yloxyaniline.
What is the SMILES notation for 3-methyl-4-pentan-2-yloxyaniline?
The canonical SMILES for 3-methyl-4-pentan-2-yloxyaniline is CCCC(C)Oc1ccc(N)cc1C.
What is the InChIKey of 3-methyl-4-pentan-2-yloxyaniline?
The InChIKey is XDWDGBRSKAEXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10(3)14-12-7-6-11(13)8-9(12)2/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 3-methyl-4-pentan-2-yloxyaniline?
3-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 3-methyl-4-pentan-2-yloxyaniline is sourced from PubChem (CID 102980374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).