3-methoxy-N-propan-2-ylaniline

C10H15NO — CID 19084908

IUPAC3-methoxy-N-propan-2-ylaniline
SMILESCOc1cccc(NC(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3
InChIKeyZZUXLTWVONQPEI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.52
Rot. Bonds3

About 3-methoxy-N-propan-2-ylaniline

3-methoxy-N-propan-2-ylaniline (PubChem CID 19084908) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-methoxy-N-propan-2-ylaniline
PubChem CID19084908
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methoxy-N-propan-2-ylaniline
SMILESCOc1cccc(NC(C)C)c1
InChIInChI=1S/C10H15NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3
InChIKeyZZUXLTWVONQPEI-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-ylaniline?
The IUPAC name of 3-methoxy-N-propan-2-ylaniline (CID 19084908) is 3-methoxy-N-propan-2-ylaniline.
What is the SMILES notation for 3-methoxy-N-propan-2-ylaniline?
The canonical SMILES for 3-methoxy-N-propan-2-ylaniline is COc1cccc(NC(C)C)c1.
What is the InChIKey of 3-methoxy-N-propan-2-ylaniline?
The InChIKey is ZZUXLTWVONQPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)11-9-5-4-6-10(7-9)12-3/h4-8,11H,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-ylaniline?
3-methoxy-N-propan-2-ylaniline has a molecular weight of 165.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-ylaniline is sourced from PubChem (CID 19084908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).