2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol

C17H21NO2 — CID 81364019

IUPAC2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)13(2)18-11-14-7-8-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m1/s1
InChIKeyXDHJTWDEJJOHET-CYBMUJFWSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds5

About 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol

2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 81364019) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID81364019
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2cccc(C)c2)ccc1O
InChIInChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)13(2)18-11-14-7-8-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m1/s1
InChIKeyXDHJTWDEJJOHET-CYBMUJFWSA-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-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 70301539
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 43225616
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
5-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28682658
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol (CID 81364019) is 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol is COc1cc(CN[C@H](C)c2cccc(C)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is XDHJTWDEJJOHET-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-4-6-15(9-12)13(2)18-11-14-7-8-16(19)17(10-14)20-3/h4-10,13,18-19H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol?
2-methoxy-4-[[[(1R)-1-(3-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-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81364019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).