4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol

C17H21NO3 — CID 61239059

IUPAC4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1ccc(OC)c(CNCCc2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO3/c1-20-16-7-8-17(21-2)14(11-16)12-18-10-9-13-3-5-15(19)6-4-13/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyCHORNCYLIYOTAW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.74
Rot. Bonds7

About 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol

4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol (PubChem CID 61239059) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
PubChem CID61239059
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
SMILESCOc1ccc(OC)c(CNCCc2ccc(O)cc2)c1
InChIInChI=1S/C17H21NO3/c1-20-16-7-8-17(21-2)14(11-16)12-18-10-9-13-3-5-15(19)6-4-13/h3-8,11,18-19H,9-10,12H2,1-2H3
InChIKeyCHORNCYLIYOTAW-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752889
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
N-[(2,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730063
4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367
3-[(2,5-dimethoxyphenyl)methylamino]propanoic acid
CID 43112090
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-(4-methoxyphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220553
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol (CID 61239059) is 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol is COc1ccc(OC)c(CNCCc2ccc(O)cc2)c1.
What is the InChIKey of 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol?
The InChIKey is CHORNCYLIYOTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-16-7-8-17(21-2)14(11-16)12-18-10-9-13-3-5-15(19)6-4-13/h3-8,11,18-19H,9-10,12H2,1-2H3.
What are the key properties of 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol?
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 61239059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).