O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine

C11H17FN2O — CID 117303184

IUPACO-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
SMILESCN(C)Cc1ccc(CCON)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)8-10-4-3-9(5-6-15-13)7-11(10)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyKEAFPVBLBTXNBG-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.32
Rot. Bonds5

About O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine

O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine (PubChem CID 117303184) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
PubChem CID117303184
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC NameO-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
SMILESCN(C)Cc1ccc(CCON)cc1F
InChIInChI=1S/C11H17FN2O/c1-14(2)8-10-4-3-9(5-6-15-13)7-11(10)12/h3-4,7H,5-6,8,13H2,1-2H3
InChIKeyKEAFPVBLBTXNBG-UHFFFAOYSA-N
XLogP1.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
CID 117339727
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
CID 117418093
2-(2-aminooxyethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117328956
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326
O-[2-[3-[(dimethylamino)methyl]-2-methoxyphenyl]ethyl]hydroxylamine
CID 117322409
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490

Frequently Asked Questions

What is the IUPAC name of O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine (CID 117303184) is O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine is CN(C)Cc1ccc(CCON)cc1F.
What is the InChIKey of O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine?
The InChIKey is KEAFPVBLBTXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-14(2)8-10-4-3-9(5-6-15-13)7-11(10)12/h3-4,7H,5-6,8,13H2,1-2H3.
What are the key properties of O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine?
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine has a molecular weight of 212.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117303184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).