[4-(4-aminoanilino)oxan-4-yl]methanol

C12H18N2O2 — CID 106296805

IUPAC[4-(4-aminoanilino)oxan-4-yl]methanol
SMILESNc1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C12H18N2O2/c13-10-1-3-11(4-2-10)14-12(9-15)5-7-16-8-6-12/h1-4,14-15H,5-9,13H2
InChIKeyAPJSVPISINYVHF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds3

About [4-(4-aminoanilino)oxan-4-yl]methanol

[4-(4-aminoanilino)oxan-4-yl]methanol (PubChem CID 106296805) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(4-aminoanilino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(4-aminoanilino)oxan-4-yl]methanol
PubChem CID106296805
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[4-(4-aminoanilino)oxan-4-yl]methanol
SMILESNc1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C12H18N2O2/c13-10-1-3-11(4-2-10)14-12(9-15)5-7-16-8-6-12/h1-4,14-15H,5-9,13H2
InChIKeyAPJSVPISINYVHF-UHFFFAOYSA-N
XLogP1.22
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 114170427
[4-[(5-amino-2-pyridinyl)amino]oxan-4-yl]methanol
CID 106296826
[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
CID 106299965
1-[2-amino-5-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 106296873
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850
[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol
CID 106296789
[4-(4-amino-3-propoxyanilino)oxan-4-yl]methanol
CID 106296921
[3-(pyridin-4-ylamino)oxolan-3-yl]methanol
CID 130834966
[4-[(6-aminoquinazolin-4-yl)amino]oxan-4-yl]methanol
CID 106296813
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
2-amino-3-[[4-(hydroxymethyl)oxan-4-yl]amino]benzonitrile
CID 106296800

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminoanilino)oxan-4-yl]methanol?
The IUPAC name of [4-(4-aminoanilino)oxan-4-yl]methanol (CID 106296805) is [4-(4-aminoanilino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(4-aminoanilino)oxan-4-yl]methanol?
The canonical SMILES for [4-(4-aminoanilino)oxan-4-yl]methanol is Nc1ccc(NC2(CO)CCOCC2)cc1.
What is the InChIKey of [4-(4-aminoanilino)oxan-4-yl]methanol?
The InChIKey is APJSVPISINYVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-10-1-3-11(4-2-10)14-12(9-15)5-7-16-8-6-12/h1-4,14-15H,5-9,13H2.
What are the key properties of [4-(4-aminoanilino)oxan-4-yl]methanol?
[4-(4-aminoanilino)oxan-4-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminoanilino)oxan-4-yl]methanol is sourced from PubChem (CID 106296805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).