4-(cyclopentyloxymethyl)aniline

C12H17NO — CID 16790924

IUPAC4-(cyclopentyloxymethyl)aniline
SMILESNc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H17NO/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12H,1-4,9,13H2
InChIKeyPJOKBXNWJFKWSX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.73
Rot. Bonds3

About 4-(cyclopentyloxymethyl)aniline

4-(cyclopentyloxymethyl)aniline (PubChem CID 16790924) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(cyclopentyloxymethyl)aniline.

Molecular Properties

Compound Name4-(cyclopentyloxymethyl)aniline
PubChem CID16790924
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(cyclopentyloxymethyl)aniline
SMILESNc1ccc(COC2CCCC2)cc1
InChIInChI=1S/C12H17NO/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12H,1-4,9,13H2
InChIKeyPJOKBXNWJFKWSX-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxymethyl)aniline?
The IUPAC name of 4-(cyclopentyloxymethyl)aniline (CID 16790924) is 4-(cyclopentyloxymethyl)aniline.
What is the SMILES notation for 4-(cyclopentyloxymethyl)aniline?
The canonical SMILES for 4-(cyclopentyloxymethyl)aniline is Nc1ccc(COC2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentyloxymethyl)aniline?
The InChIKey is PJOKBXNWJFKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12H,1-4,9,13H2.
What are the key properties of 4-(cyclopentyloxymethyl)aniline?
4-(cyclopentyloxymethyl)aniline has a molecular weight of 191.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxymethyl)aniline is sourced from PubChem (CID 16790924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).