1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine

C11H16FN3 — CID 170078388

IUPAC1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
SMILESCN1CCc2cc(CNNF)ccc2C1
InChIInChI=1S/C11H16FN3/c1-15-5-4-10-6-9(7-13-14-12)2-3-11(10)8-15/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeySLSHFJFSVSMYTI-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.15
Rot. Bonds3

About 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine

1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine (PubChem CID 170078388) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
PubChem CID170078388
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
SMILESCN1CCc2cc(CNNF)ccc2C1
InChIInChI=1S/C11H16FN3/c1-15-5-4-10-6-9(7-13-14-12)2-3-11(10)8-15/h2-3,6,13-14H,4-5,7-8H2,1H3
InChIKeySLSHFJFSVSMYTI-UHFFFAOYSA-N
XLogP1.15
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
buta-1,3-diene;2-methyl-6-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 155698227
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163854

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine?
The IUPAC name of 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine (CID 170078388) is 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine.
What is the SMILES notation for 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine?
The canonical SMILES for 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine is CN1CCc2cc(CNNF)ccc2C1.
What is the InChIKey of 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine?
The InChIKey is SLSHFJFSVSMYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-15-5-4-10-6-9(7-13-14-12)2-3-11(10)8-15/h2-3,6,13-14H,4-5,7-8H2,1H3.
What are the key properties of 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine?
1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine has a molecular weight of 209.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine is sourced from PubChem (CID 170078388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).