4-methoxy-3-propan-2-yloxyaniline

C10H15NO2 — CID 16785912

IUPAC4-methoxy-3-propan-2-yloxyaniline
SMILESCOc1ccc(N)cc1OC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,11H2,1-3H3
InChIKeyUXQCETJFAZOKBM-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.06
Rot. Bonds3

About 4-methoxy-3-propan-2-yloxyaniline

4-methoxy-3-propan-2-yloxyaniline (PubChem CID 16785912) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-methoxy-3-propan-2-yloxyaniline
PubChem CID16785912
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-methoxy-3-propan-2-yloxyaniline
SMILESCOc1ccc(N)cc1OC(C)C
InChIInChI=1S/C10H15NO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,11H2,1-3H3
InChIKeyUXQCETJFAZOKBM-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

1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
4-phenoxy-3-propan-2-yloxyaniline
CID 18616750
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
4-amino-2-propan-2-yloxybenzamide
CID 53495725
4-methoxy-3-(4-phenylbutan-2-yloxy)aniline
CID 70162842
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205
4-(4-aminophenyl)-3-propan-2-yloxyaniline
CID 141083704
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
(4-methoxy-3-propan-2-yloxyphenyl) acetate
CID 10656751

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-yloxyaniline?
The IUPAC name of 4-methoxy-3-propan-2-yloxyaniline (CID 16785912) is 4-methoxy-3-propan-2-yloxyaniline.
What is the SMILES notation for 4-methoxy-3-propan-2-yloxyaniline?
The canonical SMILES for 4-methoxy-3-propan-2-yloxyaniline is COc1ccc(N)cc1OC(C)C.
What is the InChIKey of 4-methoxy-3-propan-2-yloxyaniline?
The InChIKey is UXQCETJFAZOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)13-10-6-8(11)4-5-9(10)12-3/h4-7H,11H2,1-3H3.
What are the key properties of 4-methoxy-3-propan-2-yloxyaniline?
4-methoxy-3-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 4-methoxy-3-propan-2-yloxyaniline is sourced from PubChem (CID 16785912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).