1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol

C17H21NO — CID 112501683

IUPAC1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
SMILESCc1ccc(C(O)CNCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-7-9-16(10-8-14)17(19)13-18-12-11-15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3
InChIKeyHOESCIYTSINZFZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol

1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol (PubChem CID 112501683) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
PubChem CID112501683
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
SMILESCc1ccc(C(O)CNCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-14-7-9-16(10-8-14)17(19)13-18-12-11-15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3
InChIKeyHOESCIYTSINZFZ-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
CID 169370345
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
1-(4-chlorophenyl)-2-(3-phenylpropylamino)ethanol
CID 60724627
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol (CID 112501683) is 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol is Cc1ccc(C(O)CNCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol?
The InChIKey is HOESCIYTSINZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-7-9-16(10-8-14)17(19)13-18-12-11-15-5-3-2-4-6-15/h2-10,17-19H,11-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol?
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol has a molecular weight of 255.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol is sourced from PubChem (CID 112501683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).