3-methoxy-2-[(E)-prop-1-enyl]aniline

C10H13NO — CID 131242530

IUPAC3-methoxy-2-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1c(N)cccc1OC
InChIInChI=1S/C10H13NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h3-7H,11H2,1-2H3/b5-3+
InChIKeyCPLNWHVLLNKSSF-HWKANZROSA-N
MW163.22 g/mol
LogP2.31
Rot. Bonds2

About 3-methoxy-2-[(E)-prop-1-enyl]aniline

3-methoxy-2-[(E)-prop-1-enyl]aniline (PubChem CID 131242530) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methoxy-2-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound Name3-methoxy-2-[(E)-prop-1-enyl]aniline
PubChem CID131242530
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methoxy-2-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1c(N)cccc1OC
InChIInChI=1S/C10H13NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h3-7H,11H2,1-2H3/b5-3+
InChIKeyCPLNWHVLLNKSSF-HWKANZROSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(E)-prop-1-enyl]aniline?
The IUPAC name of 3-methoxy-2-[(E)-prop-1-enyl]aniline (CID 131242530) is 3-methoxy-2-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for 3-methoxy-2-[(E)-prop-1-enyl]aniline?
The canonical SMILES for 3-methoxy-2-[(E)-prop-1-enyl]aniline is C/C=C/c1c(N)cccc1OC.
What is the InChIKey of 3-methoxy-2-[(E)-prop-1-enyl]aniline?
The InChIKey is CPLNWHVLLNKSSF-HWKANZROSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-8-9(11)6-4-7-10(8)12-2/h3-7H,11H2,1-2H3/b5-3+.
What are the key properties of 3-methoxy-2-[(E)-prop-1-enyl]aniline?
3-methoxy-2-[(E)-prop-1-enyl]aniline has a molecular weight of 163.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 131242530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).