3,5-dimethyl-2-(2-methylpropoxy)aniline

C12H19NO — CID 54853227

IUPAC3,5-dimethyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(C)c(OCC(C)C)c(N)c1
InChIInChI=1S/C12H19NO/c1-8(2)7-14-12-10(4)5-9(3)6-11(12)13/h5-6,8H,7,13H2,1-4H3
InChIKeyBLWQSRNZRLIKAF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.92
Rot. Bonds3

About 3,5-dimethyl-2-(2-methylpropoxy)aniline

3,5-dimethyl-2-(2-methylpropoxy)aniline (PubChem CID 54853227) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-2-(2-methylpropoxy)aniline
PubChem CID54853227
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3,5-dimethyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(C)c(OCC(C)C)c(N)c1
InChIInChI=1S/C12H19NO/c1-8(2)7-14-12-10(4)5-9(3)6-11(12)13/h5-6,8H,7,13H2,1-4H3
InChIKeyBLWQSRNZRLIKAF-UHFFFAOYSA-N
XLogP2.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.92
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-2-(2-methylpropoxy)aniline
CID 70699878
2-(3-fluoropropoxy)-3,5-dimethylaniline
CID 81105678
3,5-dimethyl-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915232
1-(4-chlorobutan-2-yl)-3,5-dimethyl-2-(2-methylpropoxy)benzene
CID 83942283
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
3,5-dimethyl-2-(3-methylsulfonylpropoxy)aniline
CID 63191136
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
CID 83942296
2,4-diamino-1-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butan-1-ol
CID 83942307
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
CID 174694459
CID 174694459
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 3,5-dimethyl-2-(2-methylpropoxy)aniline (CID 54853227) is 3,5-dimethyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 3,5-dimethyl-2-(2-methylpropoxy)aniline is Cc1cc(C)c(OCC(C)C)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-(2-methylpropoxy)aniline?
The InChIKey is BLWQSRNZRLIKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)7-14-12-10(4)5-9(3)6-11(12)13/h5-6,8H,7,13H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-(2-methylpropoxy)aniline?
3,5-dimethyl-2-(2-methylpropoxy)aniline has a molecular weight of 193.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 54853227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).