2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol

C17H21NO2 — CID 60896859

IUPAC2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-8-9-17(20-2)15(10-13)16(19)12-18-11-14-6-4-3-5-7-14/h3-10,16,18-19H,11-12H2,1-2H3
InChIKeyBKZSPSUKZGGLKZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.83
Rot. Bonds6

About 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol

2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 60896859) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
PubChem CID60896859
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1C(O)CNCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13-8-9-17(20-2)15(10-13)16(19)12-18-11-14-6-4-3-5-7-14/h3-10,16,18-19H,11-12H2,1-2H3
InChIKeyBKZSPSUKZGGLKZ-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 60897173
(1S)-2-(benzylamino)-1-(4-fluoro-2-methoxyphenyl)ethanol
CID 72725320
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1-(2-methoxy-5-methylphenyl)-2-(2-methylanilino)ethanol
CID 60900549
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955325
2-(tert-butylamino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901325
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
1-[[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 65108728
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
2-(3-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60897559
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol (CID 60896859) is 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1C(O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is BKZSPSUKZGGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-8-9-17(20-2)15(10-13)16(19)12-18-11-14-6-4-3-5-7-14/h3-10,16,18-19H,11-12H2,1-2H3.
What are the key properties of 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol?
2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 60896859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).