2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol

C13H18N2O2 — CID 115216559

IUPAC2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc2ncoc2c1
InChIInChI=1S/C13H18N2O2/c1-13(2,8-14-5-6-16)10-3-4-11-12(7-10)17-9-15-11/h3-4,7,9,14,16H,5-6,8H2,1-2H3
InChIKeyXWHRWKAWPOWDGI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds5

About 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol

2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol (PubChem CID 115216559) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol
PubChem CID115216559
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol
SMILESCC(C)(CNCCO)c1ccc2ncoc2c1
InChIInChI=1S/C13H18N2O2/c1-13(2,8-14-5-6-16)10-3-4-11-12(7-10)17-9-15-11/h3-4,7,9,14,16H,5-6,8H2,1-2H3
InChIKeyXWHRWKAWPOWDGI-UHFFFAOYSA-N
XLogP1.69
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzoxazol-6-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215321
N-(azetidin-3-ylmethyl)-2-(1,3-benzoxazol-6-yl)-2-methylpropan-1-amine
CID 115208013
1-[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]-3-methylurea
CID 115169614
2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129810
2-[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216577
2-(1,3-benzoxazol-6-yl)-2,2-difluoroethanol
CID 116841174
2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
N-(chloromethyl)-2-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)propan-1-amine
CID 115263693
3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
CID 115217334
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol?
The IUPAC name of 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol (CID 115216559) is 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol?
The canonical SMILES for 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol is CC(C)(CNCCO)c1ccc2ncoc2c1.
What is the InChIKey of 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol?
The InChIKey is XWHRWKAWPOWDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,8-14-5-6-16)10-3-4-11-12(7-10)17-9-15-11/h3-4,7,9,14,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol?
2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzoxazol-6-yl)-2-methylpropyl]amino]ethanol is sourced from PubChem (CID 115216559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).