2-(1-methoxypropan-2-ylamino)-2-phenylethanol

C12H19NO2 — CID 63182604

IUPAC2-(1-methoxypropan-2-ylamino)-2-phenylethanol
SMILESCOCC(C)NC(CO)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(9-15-2)13-12(8-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyTVNOEZVUGIOHMI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 2-(1-methoxypropan-2-ylamino)-2-phenylethanol

2-(1-methoxypropan-2-ylamino)-2-phenylethanol (PubChem CID 63182604) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylamino)-2-phenylethanol
PubChem CID63182604
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(1-methoxypropan-2-ylamino)-2-phenylethanol
SMILESCOCC(C)NC(CO)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-10(9-15-2)13-12(8-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyTVNOEZVUGIOHMI-UHFFFAOYSA-N
XLogP1.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
4-[(1-methoxypropan-2-ylamino)-phenylmethyl]phenol
CID 43191842
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 103464122
(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
CID 97158414

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylamino)-2-phenylethanol?
The IUPAC name of 2-(1-methoxypropan-2-ylamino)-2-phenylethanol (CID 63182604) is 2-(1-methoxypropan-2-ylamino)-2-phenylethanol.
What is the SMILES notation for 2-(1-methoxypropan-2-ylamino)-2-phenylethanol?
The canonical SMILES for 2-(1-methoxypropan-2-ylamino)-2-phenylethanol is COCC(C)NC(CO)c1ccccc1.
What is the InChIKey of 2-(1-methoxypropan-2-ylamino)-2-phenylethanol?
The InChIKey is TVNOEZVUGIOHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(9-15-2)13-12(8-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-ylamino)-2-phenylethanol?
2-(1-methoxypropan-2-ylamino)-2-phenylethanol has a molecular weight of 209.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylamino)-2-phenylethanol is sourced from PubChem (CID 63182604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).