2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol

C23H24N2O4 — CID 150469088

IUPAC2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol
SMILESCc1c(COc2ccc(CNCCO)cc2[N+](=O)[O-])cccc1-c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-17-20(8-5-9-21(17)19-6-3-2-4-7-19)16-29-23-11-10-18(15-24-12-13-26)14-22(23)25(27)28/h2-11,14,24,26H,12-13,15-16H2,1H3
InChIKeyHRKIBUAWBISQIO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.23
Rot. Bonds9

About 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol

2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol (PubChem CID 150469088) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol
PubChem CID150469088
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol
SMILESCc1c(COc2ccc(CNCCO)cc2[N+](=O)[O-])cccc1-c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-17-20(8-5-9-21(17)19-6-3-2-4-7-19)16-29-23-11-10-18(15-24-12-13-26)14-22(23)25(27)28/h2-11,14,24,26H,12-13,15-16H2,1H3
InChIKeyHRKIBUAWBISQIO-UHFFFAOYSA-N
XLogP4.23
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol (CID 150469088) is 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol is Cc1c(COc2ccc(CNCCO)cc2[N+](=O)[O-])cccc1-c1ccccc1.
What is the InChIKey of 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol?
The InChIKey is HRKIBUAWBISQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-20(8-5-9-21(17)19-6-3-2-4-7-19)16-29-23-11-10-18(15-24-12-13-26)14-22(23)25(27)28/h2-11,14,24,26H,12-13,15-16H2,1H3.
What are the key properties of 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol?
2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol has a molecular weight of 392.46 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methyl-3-phenylphenyl)methoxy]-3-nitrophenyl]methylamino]ethanol is sourced from PubChem (CID 150469088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).