2-(2-methylpropylamino)-1-phenylethanol

C12H19NO — CID 3939463

IUPAC2-(2-methylpropylamino)-1-phenylethanol
SMILESCC(C)CNCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyUERFLMOOWGTPDV-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.97
Rot. Bonds5

About 2-(2-methylpropylamino)-1-phenylethanol

2-(2-methylpropylamino)-1-phenylethanol (PubChem CID 3939463) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-methylpropylamino)-1-phenylethanol
PubChem CID3939463
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(2-methylpropylamino)-1-phenylethanol
SMILESCC(C)CNCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyUERFLMOOWGTPDV-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
3-(2-methylpropylamino)-1,1-diphenylpropan-2-ol
CID 107292960
1-[[(2S)-2-hydroxy-2-phenylethyl]amino]propane-2-sulfonic acid
CID 87095458
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
2-[(2-methoxy-2-phenylethyl)amino]-1-phenylethanol
CID 110176855
1-(4-chlorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577747
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-1-phenylethanol?
The IUPAC name of 2-(2-methylpropylamino)-1-phenylethanol (CID 3939463) is 2-(2-methylpropylamino)-1-phenylethanol.
What is the SMILES notation for 2-(2-methylpropylamino)-1-phenylethanol?
The canonical SMILES for 2-(2-methylpropylamino)-1-phenylethanol is CC(C)CNCC(O)c1ccccc1.
What is the InChIKey of 2-(2-methylpropylamino)-1-phenylethanol?
The InChIKey is UERFLMOOWGTPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-1-phenylethanol?
2-(2-methylpropylamino)-1-phenylethanol has a molecular weight of 193.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-1-phenylethanol is sourced from PubChem (CID 3939463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).