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

C17H21NO2 — CID 81348669

IUPAC2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1
InChIKeyGMXPYYJRIWRXGB-ZDUSSCGKSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds5

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

2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 81348669) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID81348669
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1
InChIKeyGMXPYYJRIWRXGB-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-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349097
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
2-methoxy-4-[[1-(4-nitrophenyl)ethylamino]methyl]phenol
CID 139637273
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
CID 61473264
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (CID 81348669) is 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is COc1cc(CN[C@@H](C)c2ccc(C)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is GMXPYYJRIWRXGB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-7-15(8-5-12)13(2)18-11-14-6-9-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
2-methoxy-4-[[[(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-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81348669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).