3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline

C15H24N2O — CID 113290639

IUPAC3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
SMILESCOCCN(CCCc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-18-11-10-17(15-7-8-15)9-3-5-13-4-2-6-14(16)12-13/h2,4,6,12,15H,3,5,7-11,16H2,1H3
InChIKeyRQTRQROLDDIOPC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds8

About 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline

3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline (PubChem CID 113290639) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
PubChem CID113290639
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline
SMILESCOCCN(CCCc1cccc(N)c1)C1CC1
InChIInChI=1S/C15H24N2O/c1-18-11-10-17(15-7-8-15)9-3-5-13-4-2-6-14(16)12-13/h2,4,6,12,15H,3,5,7-11,16H2,1H3
InChIKeyRQTRQROLDDIOPC-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline?
The IUPAC name of 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline (CID 113290639) is 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline.
What is the SMILES notation for 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline?
The canonical SMILES for 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline is COCCN(CCCc1cccc(N)c1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline?
The InChIKey is RQTRQROLDDIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-11-10-17(15-7-8-15)9-3-5-13-4-2-6-14(16)12-13/h2,4,6,12,15H,3,5,7-11,16H2,1H3.
What are the key properties of 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline?
3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(2-methoxyethyl)amino]propyl]aniline is sourced from PubChem (CID 113290639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).