2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline

C15H24N2O — CID 106453568

IUPAC2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
SMILESCCCOCCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-10-18-11-9-17(14-7-8-14)12-13-5-3-4-6-15(13)16/h3-6,14H,2,7-12,16H2,1H3
InChIKeyILFYBQMIIQKJRA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds8

About 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline

2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline (PubChem CID 106453568) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
PubChem CID106453568
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline
SMILESCCCOCCN(Cc1ccccc1N)C1CC1
InChIInChI=1S/C15H24N2O/c1-2-10-18-11-9-17(14-7-8-14)12-13-5-3-4-6-15(13)16/h3-6,14H,2,7-12,16H2,1H3
InChIKeyILFYBQMIIQKJRA-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopropyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]methyl]aniline
CID 112589927
2-[[cyclopropyl(3-methylbutyl)amino]methyl]aniline
CID 43460982
2-[[(3,4-dimethylcyclohexyl)-propylamino]methyl]aniline
CID 64738575
2-[[cyclopropyl(3-fluoropropyl)amino]methyl]aniline
CID 81105780
2-[[cyclopropyl(2-methylpentyl)amino]methyl]aniline
CID 62265361
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
3-[(2-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylpropanamide
CID 54879017
2-[[cyclopropyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]aniline
CID 82888435
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-ethylacetamide
CID 43384134
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
3-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline (CID 106453568) is 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline is CCCOCCN(Cc1ccccc1N)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline?
The InChIKey is ILFYBQMIIQKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-10-18-11-9-17(14-7-8-14)12-13-5-3-4-6-15(13)16/h3-6,14H,2,7-12,16H2,1H3.
What are the key properties of 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline?
2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-propoxyethyl)amino]methyl]aniline is sourced from PubChem (CID 106453568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).