5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine

C13H21FN2O — CID 145383424

IUPAC5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine
SMILESCC(CF)c1cccc2c1CCNC2C.NO
InChIInChI=1S/C13H18FN.H3NO/c1-9(8-14)11-4-3-5-12-10(2)15-7-6-13(11)12;1-2/h3-5,9-10,15H,6-8H2,1-2H3;2H,1H2
InChIKeyILJOPWAVWOMDFU-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.30
Rot. Bonds2

About 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine

5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine (PubChem CID 145383424) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine.

Molecular Properties

Compound Name5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine
PubChem CID145383424
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine
SMILESCC(CF)c1cccc2c1CCNC2C.NO
InChIInChI=1S/C13H18FN.H3NO/c1-9(8-14)11-4-3-5-12-10(2)15-7-6-13(11)12;1-2/h3-5,9-10,15H,6-8H2,1-2H3;2H,1H2
InChIKeyILJOPWAVWOMDFU-UHFFFAOYSA-N
XLogP2.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine with MolForge

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Related Compounds

(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
1-methyl-1,2,3,4-tetrahydroisoquinoline-5,6-diamine
CID 84656202
1-methyl-5-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 66875767
N-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 66875746
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
(1R)-1-methyl-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 130704024
6-chloro-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 167716546
5-fluoro-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 160708607
CID 160800644
CID 160800644
4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)morpholine
CID 66875825
(1S)-6-(difluoromethyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 178029828

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine?
The IUPAC name of 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine (CID 145383424) is 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine.
What is the SMILES notation for 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine?
The canonical SMILES for 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine is CC(CF)c1cccc2c1CCNC2C.NO.
What is the InChIKey of 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine?
The InChIKey is ILJOPWAVWOMDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.H3NO/c1-9(8-14)11-4-3-5-12-10(2)15-7-6-13(11)12;1-2/h3-5,9-10,15H,6-8H2,1-2H3;2H,1H2.
What are the key properties of 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine?
5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine has a molecular weight of 240.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydroxylamine is sourced from PubChem (CID 145383424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).