6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine

C31H25FN2 — CID 90995637

IUPAC6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine
SMILESC=C1C2=C(C=NC1NCc1cccc3ccccc13)CC(c1ccccc1F)c1ccccc12
InChIInChI=1S/C31H25FN2/c1-20-30-23(17-28(25-13-4-5-15-27(25)30)26-14-6-7-16-29(26)32)19-34-31(20)33-18-22-11-8-10-21-9-2-3-12-24(21)22/h2-16,19,28,31,33H,1,17-18H2
InChIKeyKSVBLXTXDLVZRE-UHFFFAOYSA-N
MW444.55 g/mol
LogP7.02
Rot. Bonds4

About 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine

6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine (PubChem CID 90995637) has the molecular formula C31H25FN2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine
PubChem CID90995637
Molecular FormulaC31H25FN2
Molecular Weight444.55 g/mol
Exact Mass444.20
IUPAC Name6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine
SMILESC=C1C2=C(C=NC1NCc1cccc3ccccc13)CC(c1ccccc1F)c1ccccc12
InChIInChI=1S/C31H25FN2/c1-20-30-23(17-28(25-13-4-5-15-27(25)30)26-14-6-7-16-29(26)32)19-34-31(20)33-18-22-11-8-10-21-9-2-3-12-24(21)22/h2-16,19,28,31,33H,1,17-18H2
InChIKeyKSVBLXTXDLVZRE-UHFFFAOYSA-N
XLogP7.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.55
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine with MolForge

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Related Compounds

1,4-Butanediamine, N,N'-bis(1-naphthalenylmethyl)-
CID 9842231
2-(2-fluorophenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 1817775
N,N'-bis(naphthalen-1-ylmethyl)pentane-1,5-diamine
CID 10156761
N-(naphthalen-1-ylmethyl)-1-[3-[(naphthalen-1-ylmethylamino)methyl]phenyl]methanamine
CID 44458610
Bis(1-naphthylmethyl)amine
CID 2750826
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 964876
1-(4-fluorophenyl)-N'-(3-naphthalen-1-ylpropyl)methanediamine
CID 19996186
Trans-N-[3-(4-fluorophenyl)-2-propenyl]-(1-naphthylmethyl)amine
CID 21162633
2-[3-Fluoro-2-(2-naphthalen-1-ylethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744699
3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54076733
N-benzyl-6-(2-fluorophenyl)-4,4a,5,6-tetrahydrobenzo[h]quinazolin-2-amine
CID 91530338
3-methyl-2-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]azirin-2-amine
CID 123243803

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine?
The IUPAC name of 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine (CID 90995637) is 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine?
The canonical SMILES for 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine is C=C1C2=C(C=NC1NCc1cccc3ccccc13)CC(c1ccccc1F)c1ccccc12.
What is the InChIKey of 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine?
The InChIKey is KSVBLXTXDLVZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN2/c1-20-30-23(17-28(25-13-4-5-15-27(25)30)26-14-6-7-16-29(26)32)19-34-31(20)33-18-22-11-8-10-21-9-2-3-12-24(21)22/h2-16,19,28,31,33H,1,17-18H2.
What are the key properties of 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine?
6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine has a molecular weight of 444.55 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-methylidene-N-(naphthalen-1-ylmethyl)-5,6-dihydro-2H-benzo[f]isoquinolin-2-amine is sourced from PubChem (CID 90995637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).