[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol

C15H15FN2O3 — CID 28963677

IUPAC[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
SMILESCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H15FN2O3/c1-17(9-11-3-2-4-13(16)7-11)15-6-5-14(18(20)21)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyYFIXSEXOBXBMRW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.86
Rot. Bonds5

About [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol

[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol (PubChem CID 28963677) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
PubChem CID28963677
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
SMILESCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H15FN2O3/c1-17(9-11-3-2-4-13(16)7-11)15-6-5-14(18(20)21)8-12(15)10-19/h2-8,19H,9-10H2,1H3
InChIKeyYFIXSEXOBXBMRW-UHFFFAOYSA-N
XLogP2.86
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methyl-4-nitroaniline
CID 28964494
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
2-[[3-(dimethylamino)phenyl]methyl-methylamino]-5-nitrobenzonitrile
CID 133385731
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
N-tert-butyl-4-[(3-fluorophenyl)methyl-methylamino]-3-nitrobenzenesulfonamide
CID 9113670
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-nitrophenyl)urea
CID 86976512
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
CID 105415671
2-(bromomethyl)-N-methyl-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 107080346
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dinitrobenzamide
CID 60598595
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-[(3-nitrophenyl)methyl]guanidine
CID 111285901
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol (CID 28963677) is [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol is CN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol?
The InChIKey is YFIXSEXOBXBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-17(9-11-3-2-4-13(16)7-11)15-6-5-14(18(20)21)8-12(15)10-19/h2-8,19H,9-10H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol?
[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol is sourced from PubChem (CID 28963677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).