N-cyclopropyl-3-(2-methylpropoxy)aniline

C13H19NO — CID 103439181

IUPACN-cyclopropyl-3-(2-methylpropoxy)aniline
SMILESCC(C)COc1cccc(NC2CC2)c1
InChIInChI=1S/C13H19NO/c1-10(2)9-15-13-5-3-4-12(8-13)14-11-6-7-11/h3-5,8,10-11,14H,6-7,9H2,1-2H3
InChIKeyGSYKTUQDEJOCHP-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds5

About N-cyclopropyl-3-(2-methylpropoxy)aniline

N-cyclopropyl-3-(2-methylpropoxy)aniline (PubChem CID 103439181) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylpropoxy)aniline
PubChem CID103439181
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-cyclopropyl-3-(2-methylpropoxy)aniline
SMILESCC(C)COc1cccc(NC2CC2)c1
InChIInChI=1S/C13H19NO/c1-10(2)9-15-13-5-3-4-12(8-13)14-11-6-7-11/h3-5,8,10-11,14H,6-7,9H2,1-2H3
InChIKeyGSYKTUQDEJOCHP-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methylpropoxy)aniline?
The IUPAC name of N-cyclopropyl-3-(2-methylpropoxy)aniline (CID 103439181) is N-cyclopropyl-3-(2-methylpropoxy)aniline.
What is the SMILES notation for N-cyclopropyl-3-(2-methylpropoxy)aniline?
The canonical SMILES for N-cyclopropyl-3-(2-methylpropoxy)aniline is CC(C)COc1cccc(NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-methylpropoxy)aniline?
The InChIKey is GSYKTUQDEJOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)9-15-13-5-3-4-12(8-13)14-11-6-7-11/h3-5,8,10-11,14H,6-7,9H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(2-methylpropoxy)aniline?
N-cyclopropyl-3-(2-methylpropoxy)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylpropoxy)aniline is sourced from PubChem (CID 103439181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).