2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol

C15H14ClFN2O3 — CID 111440124

IUPAC2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCC(O)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-6-14(19(21)22)10(7-11)8-18-9-15(20)12-3-1-2-4-13(12)17/h1-7,15,18,20H,8-9H2
InChIKeyDVDPYBSABBKZFB-UHFFFAOYSA-N
MW324.74 g/mol
LogP3.21
Rot. Bonds6

About 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol

2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 111440124) has the molecular formula C15H14ClFN2O3 and a molecular weight of 324.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID111440124
Molecular FormulaC15H14ClFN2O3
Molecular Weight324.74 g/mol
Exact Mass324.07
IUPAC Name2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1CNCC(O)c1ccccc1F
InChIInChI=1S/C15H14ClFN2O3/c16-11-5-6-14(19(21)22)10(7-11)8-18-9-15(20)12-3-1-2-4-13(12)17/h1-7,15,18,20H,8-9H2
InChIKeyDVDPYBSABBKZFB-UHFFFAOYSA-N
XLogP3.21
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-chloro-2-nitrophenyl)methylamino]-4-methylpentan-2-ol
CID 111448882
2-(4-chloro-2-nitrophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885131
N-[(5-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)methanamine
CID 78998966
2-(2-chloro-5-methyl-4-nitroanilino)-1-(2-fluorophenyl)ethanol
CID 133351530
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
2-[(5-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 78998709
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111448946
N-[(5-chloro-2-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 78998749
N-[(5-chloro-2-nitrophenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527984
N-[(5-chloro-2-nitrophenyl)methyl]hexan-1-amine
CID 78998811
N-[(5-chloro-2-nitrophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78999083
N-[(5-chloro-2-nitrophenyl)methyl]-2-(4-chlorophenyl)ethanamine
CID 78998989

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol (CID 111440124) is 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol is O=[N+]([O-])c1ccc(Cl)cc1CNCC(O)c1ccccc1F.
What is the InChIKey of 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is DVDPYBSABBKZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3/c16-11-5-6-14(19(21)22)10(7-11)8-18-9-15(20)12-3-1-2-4-13(12)17/h1-7,15,18,20H,8-9H2.
What are the key properties of 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol?
2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 324.74 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-nitrophenyl)methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 111440124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).