2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline

C15H21NO3 — CID 155920771

IUPAC2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
SMILESNc1ccc(OC2CCOCC2)cc1OCC1CC1
InChIInChI=1S/C15H21NO3/c16-14-4-3-13(19-12-5-7-17-8-6-12)9-15(14)18-10-11-1-2-11/h3-4,9,11-12H,1-2,5-8,10,16H2
InChIKeyWRGAKYWBLJXRSR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds5

About 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline

2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline (PubChem CID 155920771) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
PubChem CID155920771
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline
SMILESNc1ccc(OC2CCOCC2)cc1OCC1CC1
InChIInChI=1S/C15H21NO3/c16-14-4-3-13(19-12-5-7-17-8-6-12)9-15(14)18-10-11-1-2-11/h3-4,9,11-12H,1-2,5-8,10,16H2
InChIKeyWRGAKYWBLJXRSR-UHFFFAOYSA-N
XLogP2.62
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline?
The IUPAC name of 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline (CID 155920771) is 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline is Nc1ccc(OC2CCOCC2)cc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline?
The InChIKey is WRGAKYWBLJXRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c16-14-4-3-13(19-12-5-7-17-8-6-12)9-15(14)18-10-11-1-2-11/h3-4,9,11-12H,1-2,5-8,10,16H2.
What are the key properties of 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline?
2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-(oxan-4-yloxy)aniline is sourced from PubChem (CID 155920771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).