2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol

C13H21NO — CID 61055543

IUPAC2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
SMILESCc1cccc(C(CO)NCC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)8-14-13(9-15)12-6-4-5-11(3)7-12/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyZHPBEQFXDSYJGF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol

2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol (PubChem CID 61055543) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
PubChem CID61055543
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
SMILESCc1cccc(C(CO)NCC(C)C)c1
InChIInChI=1S/C13H21NO/c1-10(2)8-14-13(9-15)12-6-4-5-11(3)7-12/h4-7,10,13-15H,8-9H2,1-3H3
InChIKeyZHPBEQFXDSYJGF-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
2-(3-methylphenyl)propan-1-ol
CID 21478686
2-[4-(difluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 113328529
3-(ethylamino)-3-(3-methylphenyl)propan-1-ol
CID 64812392
3-(3-methylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 83820333
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 81441071
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol (CID 61055543) is 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol is Cc1cccc(C(CO)NCC(C)C)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol?
The InChIKey is ZHPBEQFXDSYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)8-14-13(9-15)12-6-4-5-11(3)7-12/h4-7,10,13-15H,8-9H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol?
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 61055543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).