1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol

C14H23NO2 — CID 103466071

IUPAC1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2,3)15-10-14(16,11-17-4)12-8-6-5-7-9-12/h5-9,15-16H,10-11H2,1-4H3
InChIKeyDRKFSUFYXBFHQE-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.91
Rot. Bonds5

About 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol

1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103466071) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103466071
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
SMILESCOCC(O)(CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO2/c1-13(2,3)15-10-14(16,11-17-4)12-8-6-5-7-9-12/h5-9,15-16H,10-11H2,1-4H3
InChIKeyDRKFSUFYXBFHQE-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-methoxy-2-phenylheptan-2-ol
CID 103465294
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
3-chloro-N-(2-hydroxy-3-methoxy-2-phenylpropyl)-2-methylbenzenesulfonamide
CID 122243134
N-(2-hydroxy-3-methoxy-2-phenylpropyl)-1,3-benzothiazole-2-carboxamide
CID 122243128
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604
N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
CID 103984585
methyl 3-methoxy-2-phenyl-2-(2,2,2-trifluoroethylamino)propanoate
CID 103464928
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
CID 62772830
(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
CID 67185451

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol (CID 103466071) is 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol is COCC(O)(CNC(C)(C)C)c1ccccc1.
What is the InChIKey of 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is DRKFSUFYXBFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)15-10-14(16,11-17-4)12-8-6-5-7-9-12/h5-9,15-16H,10-11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol?
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103466071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).