4-methoxy-2-[(2-phenylethylamino)methyl]phenol

C16H19NO2 — CID 28615660

IUPAC4-methoxy-2-[(2-phenylethylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-19-15-7-8-16(18)14(11-15)12-17-10-9-13-5-3-2-4-6-13/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyIYNDLTSFUONEAB-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.73
Rot. Bonds6

About 4-methoxy-2-[(2-phenylethylamino)methyl]phenol

4-methoxy-2-[(2-phenylethylamino)methyl]phenol (PubChem CID 28615660) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-methoxy-2-[(2-phenylethylamino)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(2-phenylethylamino)methyl]phenol
PubChem CID28615660
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-methoxy-2-[(2-phenylethylamino)methyl]phenol
SMILESCOc1ccc(O)c(CNCCc2ccccc2)c1
InChIInChI=1S/C16H19NO2/c1-19-15-7-8-16(18)14(11-15)12-17-10-9-13-5-3-2-4-6-13/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyIYNDLTSFUONEAB-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethoxyphenyl)-2-[(2-phenylethylamino)methyl]phenol
CID 45488367
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
CID 61003043
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
4-methoxy-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenol
CID 103922840

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-phenylethylamino)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(2-phenylethylamino)methyl]phenol (CID 28615660) is 4-methoxy-2-[(2-phenylethylamino)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(2-phenylethylamino)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(2-phenylethylamino)methyl]phenol is COc1ccc(O)c(CNCCc2ccccc2)c1.
What is the InChIKey of 4-methoxy-2-[(2-phenylethylamino)methyl]phenol?
The InChIKey is IYNDLTSFUONEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-19-15-7-8-16(18)14(11-15)12-17-10-9-13-5-3-2-4-6-13/h2-8,11,17-18H,9-10,12H2,1H3.
What are the key properties of 4-methoxy-2-[(2-phenylethylamino)methyl]phenol?
4-methoxy-2-[(2-phenylethylamino)methyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-phenylethylamino)methyl]phenol is sourced from PubChem (CID 28615660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).