3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline

C15H24N2O — CID 55001379

IUPAC3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
SMILESCC(C)N(CCOc1cccc(N)c1)CC1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17(11-13-6-7-13)8-9-18-15-5-3-4-14(16)10-15/h3-5,10,12-13H,6-9,11,16H2,1-2H3
InChIKeyALGXRLZUDCDZDX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds7

About 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline

3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline (PubChem CID 55001379) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
PubChem CID55001379
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
SMILESCC(C)N(CCOc1cccc(N)c1)CC1CC1
InChIInChI=1S/C15H24N2O/c1-12(2)17(11-13-6-7-13)8-9-18-15-5-3-4-14(16)10-15/h3-5,10,12-13H,6-9,11,16H2,1-2H3
InChIKeyALGXRLZUDCDZDX-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

4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001232
3-[2-[cyclopropyl(2-methylpropyl)amino]ethoxy]aniline
CID 55002197
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
N-(cyclopropylmethyl)-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-2-amine
CID 62413212
4-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]benzohydrazide
CID 63579475
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethoxy]aniline
CID 79304456
3-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]ethoxy]aniline
CID 63687916
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
4-[3-[cyclopropylmethyl(propan-2-yl)amino]propoxy]benzonitrile
CID 60967322
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline?
The IUPAC name of 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline (CID 55001379) is 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline?
The canonical SMILES for 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline is CC(C)N(CCOc1cccc(N)c1)CC1CC1.
What is the InChIKey of 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline?
The InChIKey is ALGXRLZUDCDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17(11-13-6-7-13)8-9-18-15-5-3-4-14(16)10-15/h3-5,10,12-13H,6-9,11,16H2,1-2H3.
What are the key properties of 3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline?
3-[2-[cyclopropylmethyl(propan-2-yl)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-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline is sourced from PubChem (CID 55001379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).