3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol

C15H24N2O2 — CID 80735488

IUPAC3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
SMILESCC(C)Oc1cc(N)cc(N(C)CC2CC(O)C2)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)19-15-7-12(16)6-13(8-15)17(3)9-11-4-14(18)5-11/h6-8,10-11,14,18H,4-5,9,16H2,1-3H3
InChIKeyUEMGQUJSZGQFML-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds5

About 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol

3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol (PubChem CID 80735488) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
PubChem CID80735488
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
SMILESCC(C)Oc1cc(N)cc(N(C)CC2CC(O)C2)c1
InChIInChI=1S/C15H24N2O2/c1-10(2)19-15-7-12(16)6-13(8-15)17(3)9-11-4-14(18)5-11/h6-8,10-11,14,18H,4-5,9,16H2,1-3H3
InChIKeyUEMGQUJSZGQFML-UHFFFAOYSA-N
XLogP2.26
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol (CID 80735488) is 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol is CC(C)Oc1cc(N)cc(N(C)CC2CC(O)C2)c1.
What is the InChIKey of 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol?
The InChIKey is UEMGQUJSZGQFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)19-15-7-12(16)6-13(8-15)17(3)9-11-4-14(18)5-11/h6-8,10-11,14,18H,4-5,9,16H2,1-3H3.
What are the key properties of 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol?
3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 80735488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).