2-methoxy-5-propan-2-yloxyaniline

C10H15NO2 — CID 10081024

IUPAC2-methoxy-5-propan-2-yloxyaniline
SMILESCOc1ccc(OC(C)C)cc1N
InChIInChI=1S/C10H15NO2/c1-7(2)13-8-4-5-10(12-3)9(11)6-8/h4-7H,11H2,1-3H3
InChIKeyDFDKNFQYVRSUJV-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.06
Rot. Bonds3

About 2-methoxy-5-propan-2-yloxyaniline

2-methoxy-5-propan-2-yloxyaniline (PubChem CID 10081024) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-methoxy-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methoxy-5-propan-2-yloxyaniline
PubChem CID10081024
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-methoxy-5-propan-2-yloxyaniline
SMILESCOc1ccc(OC(C)C)cc1N
InChIInChI=1S/C10H15NO2/c1-7(2)13-8-4-5-10(12-3)9(11)6-8/h4-7H,11H2,1-3H3
InChIKeyDFDKNFQYVRSUJV-UHFFFAOYSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
CID 166073807
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-(3-amino-4-methoxyphenoxy)propanenitrile
CID 103201436
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
CID 88575410
CID 88575410
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-propan-2-yloxyaniline?
The IUPAC name of 2-methoxy-5-propan-2-yloxyaniline (CID 10081024) is 2-methoxy-5-propan-2-yloxyaniline.
What is the SMILES notation for 2-methoxy-5-propan-2-yloxyaniline?
The canonical SMILES for 2-methoxy-5-propan-2-yloxyaniline is COc1ccc(OC(C)C)cc1N.
What is the InChIKey of 2-methoxy-5-propan-2-yloxyaniline?
The InChIKey is DFDKNFQYVRSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)13-8-4-5-10(12-3)9(11)6-8/h4-7H,11H2,1-3H3.
What are the key properties of 2-methoxy-5-propan-2-yloxyaniline?
2-methoxy-5-propan-2-yloxyaniline has a molecular weight of 181.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-propan-2-yloxyaniline is sourced from PubChem (CID 10081024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).