2-(2-amino-4-methoxyphenyl)-1-phenylethanol

C15H17NO2 — CID 15151157

IUPAC2-(2-amino-4-methoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(CC(O)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO2/c1-18-13-8-7-12(14(16)10-13)9-15(17)11-5-3-2-4-6-11/h2-8,10,15,17H,9,16H2,1H3
InChIKeyRDJUPUVTLSZPNG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.55
Rot. Bonds4

About 2-(2-amino-4-methoxyphenyl)-1-phenylethanol

2-(2-amino-4-methoxyphenyl)-1-phenylethanol (PubChem CID 15151157) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-amino-4-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-(2-amino-4-methoxyphenyl)-1-phenylethanol
PubChem CID15151157
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2-amino-4-methoxyphenyl)-1-phenylethanol
SMILESCOc1ccc(CC(O)c2ccccc2)c(N)c1
InChIInChI=1S/C15H17NO2/c1-18-13-8-7-12(14(16)10-13)9-15(17)11-5-3-2-4-6-11/h2-8,10,15,17H,9,16H2,1H3
InChIKeyRDJUPUVTLSZPNG-UHFFFAOYSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-5-methoxyaniline;ethane
CID 142463807
2-(2-fluorophenyl)-1-(4-methoxyphenyl)ethanol
CID 15650401
3-(3-methoxyphenoxy)-1-phenylpropan-1-ol
CID 116693290
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
2-[(N-butylanilino)methyl]-5-methoxyaniline
CID 115414199
(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311637
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxyphenyl)-1-phenylethanol?
The IUPAC name of 2-(2-amino-4-methoxyphenyl)-1-phenylethanol (CID 15151157) is 2-(2-amino-4-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 2-(2-amino-4-methoxyphenyl)-1-phenylethanol?
The canonical SMILES for 2-(2-amino-4-methoxyphenyl)-1-phenylethanol is COc1ccc(CC(O)c2ccccc2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methoxyphenyl)-1-phenylethanol?
The InChIKey is RDJUPUVTLSZPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-13-8-7-12(14(16)10-13)9-15(17)11-5-3-2-4-6-11/h2-8,10,15,17H,9,16H2,1H3.
What are the key properties of 2-(2-amino-4-methoxyphenyl)-1-phenylethanol?
2-(2-amino-4-methoxyphenyl)-1-phenylethanol has a molecular weight of 243.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 15151157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).