3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline

C16H26N2O — CID 43540722

IUPAC3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-7-5-6-8-15)12-13-11-14(17)9-10-16(13)19-4-2/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyDZFPIZUORZKXIL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds6

About 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline

3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline (PubChem CID 43540722) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline.

Molecular Properties

Compound Name3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
PubChem CID43540722
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(CC)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-7-5-6-8-15)12-13-11-14(17)9-10-16(13)19-4-2/h9-11,15H,3-8,12,17H2,1-2H3
InChIKeyDZFPIZUORZKXIL-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.43
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-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758
4-chloro-3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43540735
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
4-[[cyclohexyl(ethyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117404
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline?
The IUPAC name of 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline (CID 43540722) is 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline.
What is the SMILES notation for 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline?
The canonical SMILES for 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline is CCOc1ccc(N)cc1CN(CC)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline?
The InChIKey is DZFPIZUORZKXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(15-7-5-6-8-15)12-13-11-14(17)9-10-16(13)19-4-2/h9-11,15H,3-8,12,17H2,1-2H3.
What are the key properties of 3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline?
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.43, 6 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]-4-ethoxyaniline is sourced from PubChem (CID 43540722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).