3-(cyclopentyloxymethyl)-5-methoxyaniline

C13H19NO2 — CID 81150187

IUPAC3-(cyclopentyloxymethyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(COC2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-13-7-10(6-11(14)8-13)9-16-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3
InChIKeyXRFAVRXSKPJHJV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.74
Rot. Bonds4

About 3-(cyclopentyloxymethyl)-5-methoxyaniline

3-(cyclopentyloxymethyl)-5-methoxyaniline (PubChem CID 81150187) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclopentyloxymethyl)-5-methoxyaniline.

Molecular Properties

Compound Name3-(cyclopentyloxymethyl)-5-methoxyaniline
PubChem CID81150187
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(cyclopentyloxymethyl)-5-methoxyaniline
SMILESCOc1cc(N)cc(COC2CCCC2)c1
InChIInChI=1S/C13H19NO2/c1-15-13-7-10(6-11(14)8-13)9-16-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3
InChIKeyXRFAVRXSKPJHJV-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methoxyaniline
CID 81150699
3-bromo-5-(cyclohexyloxymethyl)aniline
CID 103350225
butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
CID 81150835
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentyloxymethyl)-5-methoxyaniline?
The IUPAC name of 3-(cyclopentyloxymethyl)-5-methoxyaniline (CID 81150187) is 3-(cyclopentyloxymethyl)-5-methoxyaniline.
What is the SMILES notation for 3-(cyclopentyloxymethyl)-5-methoxyaniline?
The canonical SMILES for 3-(cyclopentyloxymethyl)-5-methoxyaniline is COc1cc(N)cc(COC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentyloxymethyl)-5-methoxyaniline?
The InChIKey is XRFAVRXSKPJHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-7-10(6-11(14)8-13)9-16-12-4-2-3-5-12/h6-8,12H,2-5,9,14H2,1H3.
What are the key properties of 3-(cyclopentyloxymethyl)-5-methoxyaniline?
3-(cyclopentyloxymethyl)-5-methoxyaniline has a molecular weight of 221.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentyloxymethyl)-5-methoxyaniline is sourced from PubChem (CID 81150187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).