4-[(E)-but-1-enyl]-2-methoxyaniline

C11H15NO — CID 170101265

IUPAC4-[(E)-but-1-enyl]-2-methoxyaniline
SMILESCC/C=C/c1ccc(N)c(OC)c1
InChIInChI=1S/C11H15NO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h4-8H,3,12H2,1-2H3/b5-4+
InChIKeyQWDNDTAPVFJIRL-SNAWJCMRSA-N
MW177.25 g/mol
LogP2.70
Rot. Bonds3

About 4-[(E)-but-1-enyl]-2-methoxyaniline

4-[(E)-but-1-enyl]-2-methoxyaniline (PubChem CID 170101265) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(E)-but-1-enyl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[(E)-but-1-enyl]-2-methoxyaniline
PubChem CID170101265
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-[(E)-but-1-enyl]-2-methoxyaniline
SMILESCC/C=C/c1ccc(N)c(OC)c1
InChIInChI=1S/C11H15NO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h4-8H,3,12H2,1-2H3/b5-4+
InChIKeyQWDNDTAPVFJIRL-SNAWJCMRSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
5-but-1-enyl-2-methoxyphenol
CID 154188368
3-(4-amino-3-methoxyphenyl)prop-2-enenitrile
CID 76560017
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
CID 144895148
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
3-(3,4-dimethoxyphenyl)prop-2-enylthiourea
CID 173413865
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-1-enyl]-2-methoxyaniline?
The IUPAC name of 4-[(E)-but-1-enyl]-2-methoxyaniline (CID 170101265) is 4-[(E)-but-1-enyl]-2-methoxyaniline.
What is the SMILES notation for 4-[(E)-but-1-enyl]-2-methoxyaniline?
The canonical SMILES for 4-[(E)-but-1-enyl]-2-methoxyaniline is CC/C=C/c1ccc(N)c(OC)c1.
What is the InChIKey of 4-[(E)-but-1-enyl]-2-methoxyaniline?
The InChIKey is QWDNDTAPVFJIRL-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h4-8H,3,12H2,1-2H3/b5-4+.
What are the key properties of 4-[(E)-but-1-enyl]-2-methoxyaniline?
4-[(E)-but-1-enyl]-2-methoxyaniline has a molecular weight of 177.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-1-enyl]-2-methoxyaniline is sourced from PubChem (CID 170101265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).