4-(cyclopentylmethoxy)-2-ethoxyaniline

C14H21NO2 — CID 66324490

IUPAC4-(cyclopentylmethoxy)-2-ethoxyaniline
SMILESCCOc1cc(OCC2CCCC2)ccc1N
InChIInChI=1S/C14H21NO2/c1-2-16-14-9-12(7-8-13(14)15)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,15H2,1H3
InChIKeyYLSRWFXVMTXMFI-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.24
Rot. Bonds5

About 4-(cyclopentylmethoxy)-2-ethoxyaniline

4-(cyclopentylmethoxy)-2-ethoxyaniline (PubChem CID 66324490) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-ethoxyaniline
PubChem CID66324490
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(cyclopentylmethoxy)-2-ethoxyaniline
SMILESCCOc1cc(OCC2CCCC2)ccc1N
InChIInChI=1S/C14H21NO2/c1-2-16-14-9-12(7-8-13(14)15)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,15H2,1H3
InChIKeyYLSRWFXVMTXMFI-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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

2-ethoxy-4-(oxan-4-ylmethoxy)aniline
CID 63678220
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
4-(2-cyclopropylethoxy)-2-ethoxyaniline
CID 106199653
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
2-ethoxy-4-propoxyaniline
CID 63677806
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-pentoxyaniline
CID 63678215
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
CID 83002627
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-ethoxyaniline?
The IUPAC name of 4-(cyclopentylmethoxy)-2-ethoxyaniline (CID 66324490) is 4-(cyclopentylmethoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-ethoxyaniline is CCOc1cc(OCC2CCCC2)ccc1N.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-ethoxyaniline?
The InChIKey is YLSRWFXVMTXMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-16-14-9-12(7-8-13(14)15)17-10-11-5-3-4-6-11/h7-9,11H,2-6,10,15H2,1H3.
What are the key properties of 4-(cyclopentylmethoxy)-2-ethoxyaniline?
4-(cyclopentylmethoxy)-2-ethoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-ethoxyaniline is sourced from PubChem (CID 66324490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).