N-cyclopentyl-3-ethoxy-4-methoxyaniline

C14H21NO2 — CID 43729865

IUPACN-cyclopentyl-3-ethoxy-4-methoxyaniline
SMILESCCOc1cc(NC2CCCC2)ccc1OC
InChIInChI=1S/C14H21NO2/c1-3-17-14-10-12(8-9-13(14)16-2)15-11-6-4-5-7-11/h8-11,15H,3-7H2,1-2H3
InChIKeyMCXFQIGAQBESRA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.45
Rot. Bonds5

About N-cyclopentyl-3-ethoxy-4-methoxyaniline

N-cyclopentyl-3-ethoxy-4-methoxyaniline (PubChem CID 43729865) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopentyl-3-ethoxy-4-methoxyaniline.

Molecular Properties

Compound NameN-cyclopentyl-3-ethoxy-4-methoxyaniline
PubChem CID43729865
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-cyclopentyl-3-ethoxy-4-methoxyaniline
SMILESCCOc1cc(NC2CCCC2)ccc1OC
InChIInChI=1S/C14H21NO2/c1-3-17-14-10-12(8-9-13(14)16-2)15-11-6-4-5-7-11/h8-11,15H,3-7H2,1-2H3
InChIKeyMCXFQIGAQBESRA-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
N-(3,4-diethoxyphenyl)-1-methylazepan-4-amine
CID 65071088
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethoxy-4-methoxyaniline?
The IUPAC name of N-cyclopentyl-3-ethoxy-4-methoxyaniline (CID 43729865) is N-cyclopentyl-3-ethoxy-4-methoxyaniline.
What is the SMILES notation for N-cyclopentyl-3-ethoxy-4-methoxyaniline?
The canonical SMILES for N-cyclopentyl-3-ethoxy-4-methoxyaniline is CCOc1cc(NC2CCCC2)ccc1OC.
What is the InChIKey of N-cyclopentyl-3-ethoxy-4-methoxyaniline?
The InChIKey is MCXFQIGAQBESRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-17-14-10-12(8-9-13(14)16-2)15-11-6-4-5-7-11/h8-11,15H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyl-3-ethoxy-4-methoxyaniline?
N-cyclopentyl-3-ethoxy-4-methoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethoxy-4-methoxyaniline is sourced from PubChem (CID 43729865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).