3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol

C17H21NO2 — CID 81370710

IUPAC3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1ccc([C@@H](C)NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12(14-7-9-17(20-3)10-8-14)18-13(2)15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3/t12-,13?/m1/s1
InChIKeyPNLYMFFXZJFHQI-PZORYLMUSA-N
MW271.36 g/mol
LogP3.81
Rot. Bonds5

About 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol

3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol (PubChem CID 81370710) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
PubChem CID81370710
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
SMILESCOc1ccc([C@@H](C)NC(C)c2cccc(O)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12(14-7-9-17(20-3)10-8-14)18-13(2)15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3/t12-,13?/m1/s1
InChIKeyPNLYMFFXZJFHQI-PZORYLMUSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(4-methoxyphenyl)ethylamino]ethyl]phenol
CID 43748561
4-[1-[1-(3-methoxyphenyl)ethylamino]ethyl]phenol
CID 60944294
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]benzonitrile
CID 81367263
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
CID 43748567
2-(3-hydroxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 62727102
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol (CID 81370710) is 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol is COc1ccc([C@@H](C)NC(C)c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
The InChIKey is PNLYMFFXZJFHQI-PZORYLMUSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(14-7-9-17(20-3)10-8-14)18-13(2)15-5-4-6-16(19)11-15/h4-13,18-19H,1-3H3/t12-,13?/m1/s1.
What are the key properties of 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol?
3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol is sourced from PubChem (CID 81370710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).