2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol

C17H21NO2 — CID 81349097

IUPAC2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1O
InChIInChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-17(20-3)16(19)10-14/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1
InChIKeyPUXITXLVZOQCNN-ZDUSSCGKSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds5

About 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol

2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 81349097) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID81349097
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1O
InChIInChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-17(20-3)16(19)10-14/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1
InChIKeyPUXITXLVZOQCNN-ZDUSSCGKSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
N-[(4-methoxy-3-pyrimidin-5-ylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 22391257

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (CID 81349097) is 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is COc1ccc(CN[C@@H](C)c2ccc(C)cc2)cc1O.
What is the InChIKey of 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is PUXITXLVZOQCNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-17(20-3)16(19)10-14/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81349097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).