2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol

C11H17NO3 — CID 88786065

IUPAC2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol
SMILESCC(C)NC(c1ccccc1)C(O)(O)O
InChIInChI=1S/C11H17NO3/c1-8(2)12-10(11(13,14)15)9-6-4-3-5-7-9/h3-8,10,12-15H,1-2H3
InChIKeyNUFWLSXBGNHHAO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.36
Rot. Bonds4

About 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol

2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol (PubChem CID 88786065) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol.

Molecular Properties

Compound Name2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol
PubChem CID88786065
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol
SMILESCC(C)NC(c1ccccc1)C(O)(O)O
InChIInChI=1S/C11H17NO3/c1-8(2)12-10(11(13,14)15)9-6-4-3-5-7-9/h3-8,10,12-15H,1-2H3
InChIKeyNUFWLSXBGNHHAO-UHFFFAOYSA-N
XLogP0.36
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-phenyl-N-propan-2-ylpropan-1-amine
CID 15739872
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
tris(1-phenylethanethiolate);yttrium(3+)
CID 173343730
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
3,3-diphenyl-2-(propan-2-ylamino)propan-1-ol
CID 107292892
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
N-[methylsulfanyl(phenyl)methyl]propan-2-amine
CID 143180866
cumene;2-hydroperoxypropan-2-ol
CID 175197526
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
(2S)-3-methyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]butanoic acid
CID 11579962

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol?
The IUPAC name of 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol (CID 88786065) is 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol.
What is the SMILES notation for 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol?
The canonical SMILES for 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol is CC(C)NC(c1ccccc1)C(O)(O)O.
What is the InChIKey of 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol?
The InChIKey is NUFWLSXBGNHHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(2)12-10(11(13,14)15)9-6-4-3-5-7-9/h3-8,10,12-15H,1-2H3.
What are the key properties of 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol?
2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol has a molecular weight of 211.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol is sourced from PubChem (CID 88786065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).