N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine

C14H21FN2 — CID 105498073

IUPACN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CNCc2c(F)cccc21
InChIInChI=1S/C14H21FN2/c1-14(2,3)17-8-10-7-16-9-12-11(10)5-4-6-13(12)15/h4-6,10,16-17H,7-9H2,1-3H3
InChIKeyLAWXCDMXAVBNSI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.40
Rot. Bonds2

About N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine

N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 105498073) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID105498073
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CNCc2c(F)cccc21
InChIInChI=1S/C14H21FN2/c1-14(2,3)17-8-10-7-16-9-12-11(10)5-4-6-13(12)15/h4-6,10,16-17H,7-9H2,1-3H3
InChIKeyLAWXCDMXAVBNSI-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine (CID 105498073) is N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CNCc2c(F)cccc21.
What is the InChIKey of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is LAWXCDMXAVBNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-14(2,3)17-8-10-7-16-9-12-11(10)5-4-6-13(12)15/h4-6,10,16-17H,7-9H2,1-3H3.
What are the key properties of N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine?
N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).