4-(2-methoxy-2-methylpropyl)aniline

C11H17NO — CID 91618890

IUPAC4-(2-methoxy-2-methylpropyl)aniline
SMILESCOC(C)(C)Cc1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyQDWNFHPTBZPNFT-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.24
Rot. Bonds3

About 4-(2-methoxy-2-methylpropyl)aniline

4-(2-methoxy-2-methylpropyl)aniline (PubChem CID 91618890) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-methoxy-2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(2-methoxy-2-methylpropyl)aniline
PubChem CID91618890
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2-methoxy-2-methylpropyl)aniline
SMILESCOC(C)(C)Cc1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyQDWNFHPTBZPNFT-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.24
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'}

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Related Compounds

[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
1-(2-methoxy-2-methylpropyl)-4-methylbenzene
CID 158908797
(2-methoxy-2-methylpropyl)benzene
CID 3842751
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
4-[3-(4-aminophenyl)-2,2-dimethylpropyl]aniline
CID 154634123
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
4-[[ethyl-(3-methoxy-3-methylbutyl)amino]methyl]aniline
CID 103034084
1-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980
1-[3-(2-methoxy-2-methylpropyl)phenyl]-2-methylpropan-2-amine
CID 117111966
[3-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110763
4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-2-methylpropyl)aniline?
The IUPAC name of 4-(2-methoxy-2-methylpropyl)aniline (CID 91618890) is 4-(2-methoxy-2-methylpropyl)aniline.
What is the SMILES notation for 4-(2-methoxy-2-methylpropyl)aniline?
The canonical SMILES for 4-(2-methoxy-2-methylpropyl)aniline is COC(C)(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-(2-methoxy-2-methylpropyl)aniline?
The InChIKey is QDWNFHPTBZPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,13-3)8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3.
What are the key properties of 4-(2-methoxy-2-methylpropyl)aniline?
4-(2-methoxy-2-methylpropyl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-2-methylpropyl)aniline is sourced from PubChem (CID 91618890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).