2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol

C13H21NO — CID 86150339

IUPAC2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(CCNC(C)(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)8-9-14-13(2,3)10-15/h4-7,14-15H,8-10H2,1-3H3
InChIKeyUKHPSFLSWUOEJW-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol

2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol (PubChem CID 86150339) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol
PubChem CID86150339
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol
SMILESCc1ccc(CCNC(C)(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)8-9-14-13(2,3)10-15/h4-7,14-15H,8-10H2,1-3H3
InChIKeyUKHPSFLSWUOEJW-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzylethanolamine
CID 4348
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
1,3-Propanediol, 2-(((1,1'-biphenyl)-4-ylmethyl)amino)-2-methyl-, hydrochloride
CID 149654
2-(Benzylamino)propan-1-ol
CID 138873
(R)-2-(benzylamino)butan-1-ol
CID 927306
2-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]ethanol
CID 139596372
1-[[3-(4-tert-Butylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 139598047
2-[(3-Phenyl-2-propyn-1-yl)amino]-1-butanol hydrochloride
CID 2958354
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
alpha-[[(1-Methylethyl)amino]methyl]benzeneethanol
CID 29545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol (CID 86150339) is 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol is Cc1ccc(CCNC(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol?
The InChIKey is UKHPSFLSWUOEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-4-6-12(7-5-11)8-9-14-13(2,3)10-15/h4-7,14-15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol?
2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(4-methylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 86150339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).