2-[2-(methylamino)ethyl]-4-phenoxyphenol

C15H17NO2 — CID 82552120

IUPAC2-[2-(methylamino)ethyl]-4-phenoxyphenol
SMILESCNCCc1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C15H17NO2/c1-16-10-9-12-11-14(7-8-15(12)17)18-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3
InChIKeySCRLZLADDRUHEC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.95
Rot. Bonds5

About 2-[2-(methylamino)ethyl]-4-phenoxyphenol

2-[2-(methylamino)ethyl]-4-phenoxyphenol (PubChem CID 82552120) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-4-phenoxyphenol.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-4-phenoxyphenol
PubChem CID82552120
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-(methylamino)ethyl]-4-phenoxyphenol
SMILESCNCCc1cc(Oc2ccccc2)ccc1O
InChIInChI=1S/C15H17NO2/c1-16-10-9-12-11-14(7-8-15(12)17)18-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3
InChIKeySCRLZLADDRUHEC-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81048996
2-(anilinomethyl)-4-[3-(anilinomethyl)-4-hydroxyphenoxy]phenol;ethane
CID 142216385
2-methyl-4-phenoxyphenol
CID 23089676
4-(fluoromethyl)-2-[2-(methylamino)ethyl]phenol
CID 84659130
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
methyl 4-(4-hydroxy-3-propylphenoxy)benzoate
CID 54381227
phenol;4-phenoxy-2-prop-2-enylphenol;2-prop-2-enylphenol
CID 157279728
2-iodo-4-phenoxyphenol
CID 10710201
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
methyl 2-ethyl-4-phenoxybenzoate
CID 154641333

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-4-phenoxyphenol?
The IUPAC name of 2-[2-(methylamino)ethyl]-4-phenoxyphenol (CID 82552120) is 2-[2-(methylamino)ethyl]-4-phenoxyphenol.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-4-phenoxyphenol?
The canonical SMILES for 2-[2-(methylamino)ethyl]-4-phenoxyphenol is CNCCc1cc(Oc2ccccc2)ccc1O.
What is the InChIKey of 2-[2-(methylamino)ethyl]-4-phenoxyphenol?
The InChIKey is SCRLZLADDRUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-10-9-12-11-14(7-8-15(12)17)18-13-5-3-2-4-6-13/h2-8,11,16-17H,9-10H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]-4-phenoxyphenol?
2-[2-(methylamino)ethyl]-4-phenoxyphenol has a molecular weight of 243.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-4-phenoxyphenol is sourced from PubChem (CID 82552120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).