3-cyclopentyloxy-5-propoxyaniline

C14H21NO2 — CID 80749428

IUPAC3-cyclopentyloxy-5-propoxyaniline
SMILESCCCOc1cc(N)cc(OC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-2-7-16-13-8-11(15)9-14(10-13)17-12-5-3-4-6-12/h8-10,12H,2-7,15H2,1H3
InChIKeyGMMOJCCGDNVRLA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.38
Rot. Bonds5

About 3-cyclopentyloxy-5-propoxyaniline

3-cyclopentyloxy-5-propoxyaniline (PubChem CID 80749428) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopentyloxy-5-propoxyaniline.

Molecular Properties

Compound Name3-cyclopentyloxy-5-propoxyaniline
PubChem CID80749428
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-cyclopentyloxy-5-propoxyaniline
SMILESCCCOc1cc(N)cc(OC2CCCC2)c1
InChIInChI=1S/C14H21NO2/c1-2-7-16-13-8-11(15)9-14(10-13)17-12-5-3-4-6-12/h8-10,12H,2-7,15H2,1H3
InChIKeyGMMOJCCGDNVRLA-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.38
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-(oxan-4-yloxy)-5-propoxyaniline
CID 80748850
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-(oxetan-3-yloxy)-5-propoxyaniline
CID 102605481
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 80724019
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
3-cyclohexyloxy-5-propan-2-yloxyaniline
CID 80749311
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
3-fluoro-5-propoxyaniline
CID 80752315
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-5-propoxyaniline?
The IUPAC name of 3-cyclopentyloxy-5-propoxyaniline (CID 80749428) is 3-cyclopentyloxy-5-propoxyaniline.
What is the SMILES notation for 3-cyclopentyloxy-5-propoxyaniline?
The canonical SMILES for 3-cyclopentyloxy-5-propoxyaniline is CCCOc1cc(N)cc(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-5-propoxyaniline?
The InChIKey is GMMOJCCGDNVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-7-16-13-8-11(15)9-14(10-13)17-12-5-3-4-6-12/h8-10,12H,2-7,15H2,1H3.
What are the key properties of 3-cyclopentyloxy-5-propoxyaniline?
3-cyclopentyloxy-5-propoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-5-propoxyaniline is sourced from PubChem (CID 80749428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).