[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol

C15H24N2O3 — CID 106296921

IUPAC[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
SMILESCCCOc1cc(NC2(CO)CCOCC2)ccc1N
InChIInChI=1S/C15H24N2O3/c1-2-7-20-14-10-12(3-4-13(14)16)17-15(11-18)5-8-19-9-6-15/h3-4,10,17-18H,2,5-9,11,16H2,1H3
InChIKeyMSINWPVCDQVHSV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.01
Rot. Bonds6

About [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol

[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol (PubChem CID 106296921) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
PubChem CID106296921
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
SMILESCCCOc1cc(NC2(CO)CCOCC2)ccc1N
InChIInChI=1S/C15H24N2O3/c1-2-7-20-14-10-12(3-4-13(14)16)17-15(11-18)5-8-19-9-6-15/h3-4,10,17-18H,2,5-9,11,16H2,1H3
InChIKeyMSINWPVCDQVHSV-UHFFFAOYSA-N
XLogP2.01
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol?
The IUPAC name of [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol (CID 106296921) is [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol?
The canonical SMILES for [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol is CCCOc1cc(NC2(CO)CCOCC2)ccc1N.
What is the InChIKey of [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol?
The InChIKey is MSINWPVCDQVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-7-20-14-10-12(3-4-13(14)16)17-15(11-18)5-8-19-9-6-15/h3-4,10,17-18H,2,5-9,11,16H2,1H3.
What are the key properties of [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol?
[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol is sourced from PubChem (CID 106296921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).