(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol

C13H21NO2 — CID 143500343

IUPAC(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol
SMILESC[C@@H](N)[C@@](O)(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(14)13(15,16-12(2,3)4)11-8-6-5-7-9-11/h5-10,15H,14H2,1-4H3/t10-,13-/m1/s1
InChIKeyYZMOVULCMCZVAW-ZWNOBZJWSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds3

About (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol

(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol (PubChem CID 143500343) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol
PubChem CID143500343
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol
SMILESC[C@@H](N)[C@@](O)(OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-10(14)13(15,16-12(2,3)4)11-8-6-5-7-9-11/h5-10,15H,14H2,1-4H3/t10-,13-/m1/s1
InChIKeyYZMOVULCMCZVAW-ZWNOBZJWSA-N
XLogP1.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
1-[(2-methylpropan-2-yl)oxy]-2-phenylpropan-2-ol
CID 13140414
1-(1,1-diphenylethoxy)ethanamine
CID 66761557
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
CID 122674877
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
3-methoxy-2-methyl-2-phenylbutane-1,1,1-triol
CID 175119768
1-(1,3-dihydroxy-1-phenylbutoxy)-1-phenylbutane-1,3-diol
CID 173407184
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol (CID 143500343) is (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol is C[C@@H](N)[C@@](O)(OC(C)(C)C)c1ccccc1.
What is the InChIKey of (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol?
The InChIKey is YZMOVULCMCZVAW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14)13(15,16-12(2,3)4)11-8-6-5-7-9-11/h5-10,15H,14H2,1-4H3/t10-,13-/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol?
(1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-[(2-methylpropan-2-yl)oxy]-1-phenylpropan-1-ol is sourced from PubChem (CID 143500343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).