2-ethoxy-6-[(1-phenylethylamino)methyl]phenol

C17H21NO2 — CID 43189900

IUPAC2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
SMILESCCOc1cccc(CNC(C)c2ccccc2)c1O
InChIInChI=1S/C17H21NO2/c1-3-20-16-11-7-10-15(17(16)19)12-18-13(2)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyXTCVGLGZCBBRJV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds6

About 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol

2-ethoxy-6-[(1-phenylethylamino)methyl]phenol (PubChem CID 43189900) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
PubChem CID43189900
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
SMILESCCOc1cccc(CNC(C)c2ccccc2)c1O
InChIInChI=1S/C17H21NO2/c1-3-20-16-11-7-10-15(17(16)19)12-18-13(2)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3
InChIKeyXTCVGLGZCBBRJV-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
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

2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 28652801
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-ethoxy-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 104854721
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]hexanoic acid
CID 82364615
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol (CID 43189900) is 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol is CCOc1cccc(CNC(C)c2ccccc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol?
The InChIKey is XTCVGLGZCBBRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16-11-7-10-15(17(16)19)12-18-13(2)14-8-5-4-6-9-14/h4-11,13,18-19H,3,12H2,1-2H3.
What are the key properties of 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol?
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(1-phenylethylamino)methyl]phenol is sourced from PubChem (CID 43189900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).