[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol

C13H19NO3 — CID 106658979

IUPAC[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol
SMILESCC1(C)OCC(Nc2ccc(CO)cc2)CO1
InChIInChI=1S/C13H19NO3/c1-13(2)16-8-12(9-17-13)14-11-5-3-10(7-15)4-6-11/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyDPVGUQRKSUKOSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds3

About [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol

[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol (PubChem CID 106658979) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol
PubChem CID106658979
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol
SMILESCC1(C)OCC(Nc2ccc(CO)cc2)CO1
InChIInChI=1S/C13H19NO3/c1-13(2)16-8-12(9-17-13)14-11-5-3-10(7-15)4-6-11/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyDPVGUQRKSUKOSI-UHFFFAOYSA-N
XLogP1.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol?
The IUPAC name of [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol (CID 106658979) is [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol is CC1(C)OCC(Nc2ccc(CO)cc2)CO1.
What is the InChIKey of [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol?
The InChIKey is DPVGUQRKSUKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2)16-8-12(9-17-13)14-11-5-3-10(7-15)4-6-11/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol?
[4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanol is sourced from PubChem (CID 106658979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).