N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine

C11H16FNO — CID 91048549

IUPACN-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
SMILESCCCN(O)CCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3
InChIKeyLFHTUCMUOVAZEO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine

N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine (PubChem CID 91048549) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
PubChem CID91048549
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
SMILESCCCN(O)CCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3
InChIKeyLFHTUCMUOVAZEO-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
CID 90702966
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
acetylene;1-butyl-3-fluorobenzene
CID 142913636
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
N'-[(3-fluorophenyl)methyl]-N'-propylethane-1,2-diamine
CID 61350683
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine (CID 91048549) is N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine is CCCN(O)CCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine?
The InChIKey is LFHTUCMUOVAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine?
N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine has a molecular weight of 197.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine is sourced from PubChem (CID 91048549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).