[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

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

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Related Compounds

N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658028
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 106658230
N-[4-(difluoromethylsulfonyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104577336
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658448
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 106658413
2,2-dimethyl-N-(3-methylsulfanylphenyl)-1,3-dioxan-5-amine
CID 106657980
N-(4-propylphenyl)oxetan-3-amine
CID 63624203
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658612
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
2,2-dimethyl-N-(3-pyrrol-1-ylphenyl)-1,3-dioxan-5-amine
CID 106658465
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 106658287
4-N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 106658246

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).