4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol

C23H25NO3 — CID 45488367

IUPAC4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO3/c1-26-20-9-11-23(27-2)21(15-20)18-8-10-22(25)19(14-18)16-24-13-12-17-6-4-3-5-7-17/h3-11,14-15,24-25H,12-13,16H2,1-2H3
InChIKeyARLXUIYUADJNAA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.41
Rot. Bonds8

About 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol

4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol (PubChem CID 45488367) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
PubChem CID45488367
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
SMILESCOc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO3/c1-26-20-9-11-23(27-2)21(15-20)18-8-10-22(25)19(14-18)16-24-13-12-17-6-4-3-5-7-17/h3-11,14-15,24-25H,12-13,16H2,1-2H3
InChIKeyARLXUIYUADJNAA-UHFFFAOYSA-N
XLogP4.41
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
4-(2,5-dimethoxyphenyl)-2-[(2-methylpropylamino)methyl]phenol
CID 45488727
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
2-[(cyclooctylamino)methyl]-4-(2,5-dimethoxyphenyl)phenol
CID 45488585
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol (CID 45488367) is 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol is COc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccccc3)c2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol?
The InChIKey is ARLXUIYUADJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-26-20-9-11-23(27-2)21(15-20)18-8-10-22(25)19(14-18)16-24-13-12-17-6-4-3-5-7-17/h3-11,14-15,24-25H,12-13,16H2,1-2H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol?
4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol has a molecular weight of 363.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol is sourced from PubChem (CID 45488367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).