3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline

C15H24N2O — CID 81149127

IUPAC3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
SMILESCCN(Cc1cc(N)cc(OC)c1)C1CCCC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-6-4-5-7-14)11-12-8-13(16)10-15(9-12)18-2/h8-10,14H,3-7,11,16H2,1-2H3
InChIKeyCXTLLKJEJBMLFK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds5

About 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline

3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline (PubChem CID 81149127) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
PubChem CID81149127
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
SMILESCCN(Cc1cc(N)cc(OC)c1)C1CCCC1
InChIInChI=1S/C15H24N2O/c1-3-17(14-6-4-5-7-14)11-12-8-13(16)10-15(9-12)18-2/h8-10,14H,3-7,11,16H2,1-2H3
InChIKeyCXTLLKJEJBMLFK-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
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-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
CID 102860071
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine
CID 80724152
3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645923
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
N-[[2-(3-aminoprop-1-ynyl)-5-methoxyphenyl]methyl]-N-ethylcyclopentanamine
CID 65325687
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
3-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]aniline
CID 81149781

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline?
The IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline (CID 81149127) is 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline?
The canonical SMILES for 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline is CCN(Cc1cc(N)cc(OC)c1)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline?
The InChIKey is CXTLLKJEJBMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(14-6-4-5-7-14)11-12-8-13(16)10-15(9-12)18-2/h8-10,14H,3-7,11,16H2,1-2H3.
What are the key properties of 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline?
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline is sourced from PubChem (CID 81149127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).