3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol

C17H21NO2 — CID 14643101

IUPAC3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
SMILESCOc1cccc(O)c1[C@H](C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(14-8-5-4-6-9-14)18-13(2)17-15(19)10-7-11-16(17)20-3/h4-13,18-19H,1-3H3/t12-,13-/m0/s1
InChIKeySRGRQGVGEVGWGF-STQMWFEESA-N
MW271.36 g/mol
LogP3.81
Rot. Bonds5

About 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol

3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol (PubChem CID 14643101) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
PubChem CID14643101
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
SMILESCOc1cccc(O)c1[C@H](C)N[C@@H](C)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-12(14-8-5-4-6-9-14)18-13(2)17-15(19)10-7-11-16(17)20-3/h4-13,18-19H,1-3H3/t12-,13-/m0/s1
InChIKeySRGRQGVGEVGWGF-STQMWFEESA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107711112
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540
(1S)-1-phenyl-N-[(1S)-1-(2,3,4-trimethoxyphenyl)ethyl]ethanamine
CID 14247701
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The IUPAC name of 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol (CID 14643101) is 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol.
What is the SMILES notation for 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The canonical SMILES for 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol is COc1cccc(O)c1[C@H](C)N[C@@H](C)c1ccccc1.
What is the InChIKey of 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
The InChIKey is SRGRQGVGEVGWGF-STQMWFEESA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(14-8-5-4-6-9-14)18-13(2)17-15(19)10-7-11-16(17)20-3/h4-13,18-19H,1-3H3/t12-,13-/m0/s1.
What are the key properties of 3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol?
3-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]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-methoxy-2-[(1S)-1-[[(1S)-1-phenylethyl]amino]ethyl]phenol is sourced from PubChem (CID 14643101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).