3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline

C15H24N2O — CID 55002197

IUPAC3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
SMILESCC(C)CN(CCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)11-17(14-6-7-14)8-9-18-15-5-3-4-13(16)10-15/h3-5,10,12,14H,6-9,11,16H2,1-2H3
InChIKeyKVKFCCXHGNEKBY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds7

About 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline

3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline (PubChem CID 55002197) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
PubChem CID55002197
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
SMILESCC(C)CN(CCOc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)11-17(14-6-7-14)8-9-18-15-5-3-4-13(16)10-15/h3-5,10,12,14H,6-9,11,16H2,1-2H3
InChIKeyKVKFCCXHGNEKBY-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
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

N-[2-(3-bromophenoxy)ethyl]-N-(3-methylbutyl)cyclopropanamine
CID 78943956
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379
3-[2-[cyclopropyl(3-methylbutyl)amino]ethoxy]benzenecarbothioamide
CID 78973629
3-[3-(4-methylpentoxy)propoxy]aniline
CID 43366169
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
1-(3-aminophenoxy)-3-[cyclobutyl(2-hydroxyethyl)amino]propan-2-ol
CID 102860471
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
CID 63687916
3-[2-[cyclopropyl(ethyl)amino]ethoxy]benzenecarbothioamide
CID 43290573
3-[2-(2-methylpropylsulfanyl)ethoxy]aniline
CID 43366405
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline?
The IUPAC name of 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline (CID 55002197) is 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline?
The canonical SMILES for 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline is CC(C)CN(CCOc1cccc(N)c1)C1CC1.
What is the InChIKey of 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline?
The InChIKey is KVKFCCXHGNEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)11-17(14-6-7-14)8-9-18-15-5-3-4-13(16)10-15/h3-5,10,12,14H,6-9,11,16H2,1-2H3.
What are the key properties of 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline?
3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline is sourced from PubChem (CID 55002197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).