3-(cyclohexen-1-yl)-4-methoxyaniline

C13H17NO — CID 141347740

IUPAC3-(cyclohexen-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1C1=CCCCC1
InChIInChI=1S/C13H17NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h5,7-9H,2-4,6,14H2,1H3
InChIKeyMXYVYYYKVLMEMA-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.23
Rot. Bonds2

About 3-(cyclohexen-1-yl)-4-methoxyaniline

3-(cyclohexen-1-yl)-4-methoxyaniline (PubChem CID 141347740) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-4-methoxyaniline
PubChem CID141347740
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-(cyclohexen-1-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1C1=CCCCC1
InChIInChI=1S/C13H17NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h5,7-9H,2-4,6,14H2,1H3
InChIKeyMXYVYYYKVLMEMA-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.23
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-(cyclohexen-1-yl)-4-methoxyaniline?
The IUPAC name of 3-(cyclohexen-1-yl)-4-methoxyaniline (CID 141347740) is 3-(cyclohexen-1-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(cyclohexen-1-yl)-4-methoxyaniline?
The canonical SMILES for 3-(cyclohexen-1-yl)-4-methoxyaniline is COc1ccc(N)cc1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-4-methoxyaniline?
The InChIKey is MXYVYYYKVLMEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-13-8-7-11(14)9-12(13)10-5-3-2-4-6-10/h5,7-9H,2-4,6,14H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-4-methoxyaniline?
3-(cyclohexen-1-yl)-4-methoxyaniline has a molecular weight of 203.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-4-methoxyaniline is sourced from PubChem (CID 141347740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).