(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol

C13H21NO3 — CID 24741569

IUPAC(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
SMILESCOC(CCN[C@@H](CO)c1ccccc1)OC
InChIInChI=1S/C13H21NO3/c1-16-13(17-2)8-9-14-12(10-15)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyIIVBVAHWBUFDLC-LBPRGKRZSA-N
MW239.31 g/mol
LogP1.32
Rot. Bonds8

About (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol

(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol (PubChem CID 24741569) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
PubChem CID24741569
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol
SMILESCOC(CCN[C@@H](CO)c1ccccc1)OC
InChIInChI=1S/C13H21NO3/c1-16-13(17-2)8-9-14-12(10-15)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-/m0/s1
InChIKeyIIVBVAHWBUFDLC-LBPRGKRZSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
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-methoxyethylamino)-2-phenylethanol
CID 62544769
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-[(2-hydroxy-1-phenylethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989914
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4-phenylbutan-2-ol
CID 159072005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol?
The IUPAC name of (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol (CID 24741569) is (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol.
What is the SMILES notation for (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol?
The canonical SMILES for (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol is COC(CCN[C@@H](CO)c1ccccc1)OC.
What is the InChIKey of (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol?
The InChIKey is IIVBVAHWBUFDLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO3/c1-16-13(17-2)8-9-14-12(10-15)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol?
(2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol has a molecular weight of 239.31 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-dimethoxypropylamino)-2-phenylethanol is sourced from PubChem (CID 24741569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).