N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine

C12H19FN2O2 — CID 129313084

IUPACN-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine
SMILESCOC(c1ccc(C(C)NO)cc1)C(N)CF
InChIInChI=1S/C12H19FN2O2/c1-8(15-16)9-3-5-10(6-4-9)12(17-2)11(14)7-13/h3-6,8,11-12,15-16H,7,14H2,1-2H3
InChIKeyPVOGKUHZUZTIBD-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.71
Rot. Bonds6

About N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine

N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine (PubChem CID 129313084) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine
PubChem CID129313084
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC NameN-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine
SMILESCOC(c1ccc(C(C)NO)cc1)C(N)CF
InChIInChI=1S/C12H19FN2O2/c1-8(15-16)9-3-5-10(6-4-9)12(17-2)11(14)7-13/h3-6,8,11-12,15-16H,7,14H2,1-2H3
InChIKeyPVOGKUHZUZTIBD-UHFFFAOYSA-N
XLogP1.71
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine (CID 129313084) is N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine is COC(c1ccc(C(C)NO)cc1)C(N)CF.
What is the InChIKey of N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine?
The InChIKey is PVOGKUHZUZTIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-8(15-16)9-3-5-10(6-4-9)12(17-2)11(14)7-13/h3-6,8,11-12,15-16H,7,14H2,1-2H3.
What are the key properties of N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine?
N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine has a molecular weight of 242.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 129313084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).