2-cyclopentyloxy-4,5-dimethoxyaniline

C13H19NO3 — CID 83008231

IUPAC2-cyclopentyloxy-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OC2CCCC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-12-7-10(14)11(8-13(12)16-2)17-9-5-3-4-6-9/h7-9H,3-6,14H2,1-2H3
InChIKeyXSKVGYUHDDOEJA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.61
Rot. Bonds4

About 2-cyclopentyloxy-4,5-dimethoxyaniline

2-cyclopentyloxy-4,5-dimethoxyaniline (PubChem CID 83008231) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopentyloxy-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-cyclopentyloxy-4,5-dimethoxyaniline
PubChem CID83008231
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-cyclopentyloxy-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OC2CCCC2)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-12-7-10(14)11(8-13(12)16-2)17-9-5-3-4-6-9/h7-9H,3-6,14H2,1-2H3
InChIKeyXSKVGYUHDDOEJA-UHFFFAOYSA-N
XLogP2.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
4,5-dimethoxy-2-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 83005080
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
cyclobutyl 2-amino-4,5-dimethoxybenzoate
CID 62217231
cycloheptyl 2-amino-4,5-dimethoxybenzoate
CID 61301747
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
6-amino-2-cyclobutyloxy-3,4-dimethoxybenzonitrile
CID 18470654
2,5-dicyclopentyloxy-4-morpholin-4-ylaniline
CID 154092983
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-4,5-dimethoxyaniline?
The IUPAC name of 2-cyclopentyloxy-4,5-dimethoxyaniline (CID 83008231) is 2-cyclopentyloxy-4,5-dimethoxyaniline.
What is the SMILES notation for 2-cyclopentyloxy-4,5-dimethoxyaniline?
The canonical SMILES for 2-cyclopentyloxy-4,5-dimethoxyaniline is COc1cc(N)c(OC2CCCC2)cc1OC.
What is the InChIKey of 2-cyclopentyloxy-4,5-dimethoxyaniline?
The InChIKey is XSKVGYUHDDOEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-7-10(14)11(8-13(12)16-2)17-9-5-3-4-6-9/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-4,5-dimethoxyaniline?
2-cyclopentyloxy-4,5-dimethoxyaniline has a molecular weight of 237.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-4,5-dimethoxyaniline is sourced from PubChem (CID 83008231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).