1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol

C23H24FN3O2 — CID 175691841

IUPAC1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
SMILESCN(Cc1ccc(F)cc1)CC(O)COc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H24FN3O2/c1-27(15-18-7-9-19(24)10-8-18)16-22(28)17-29-23-13-11-21(12-14-23)26-25-20-5-3-2-4-6-20/h2-14,22,28H,15-17H2,1H3/b26-25+
InChIKeyDWFHCYJLQODLMY-OCEACIFDSA-N
MW393.46 g/mol
LogP5.11
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol

1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol (PubChem CID 175691841) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
PubChem CID175691841
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
SMILESCN(Cc1ccc(F)cc1)CC(O)COc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H24FN3O2/c1-27(15-18-7-9-19(24)10-8-18)16-22(28)17-29-23-13-11-21(12-14-23)26-25-20-5-3-2-4-6-20/h2-14,22,28H,15-17H2,1H3/b26-25+
InChIKeyDWFHCYJLQODLMY-OCEACIFDSA-N
XLogP5.11
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-[benzyl(methyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 166193938
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
1-[benzyl(ethyl)amino]-3-(4-fluorophenoxy)propan-2-ol
CID 3395727
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110019576
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
1-[benzyl(methyl)amino]-3-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 72897099
(2S)-1-[benzyl(methyl)amino]-3-[4-[[(3-chlorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 42384487
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol (CID 175691841) is 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol is CN(Cc1ccc(F)cc1)CC(O)COc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol?
The InChIKey is DWFHCYJLQODLMY-OCEACIFDSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-27(15-18-7-9-19(24)10-8-18)16-22(28)17-29-23-13-11-21(12-14-23)26-25-20-5-3-2-4-6-20/h2-14,22,28H,15-17H2,1H3/b26-25+.
What are the key properties of 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol?
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol has a molecular weight of 393.46 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol is sourced from PubChem (CID 175691841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).