[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine

C17H19FN2 — CID 107878026

IUPAC[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCc3ccccc3C2)ccc1F
InChIInChI=1S/C17H19FN2/c18-17-6-5-13(9-16(17)10-19)11-20-8-7-14-3-1-2-4-15(14)12-20/h1-6,9H,7-8,10-12,19H2
InChIKeyKKDXWSNSMCOEFA-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.84
Rot. Bonds3

About [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine

[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine (PubChem CID 107878026) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
PubChem CID107878026
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(CN2CCc3ccccc3C2)ccc1F
InChIInChI=1S/C17H19FN2/c18-17-6-5-13(9-16(17)10-19)11-20-8-7-14-3-1-2-4-15(14)12-20/h1-6,9H,7-8,10-12,19H2
InChIKeyKKDXWSNSMCOEFA-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
1-(1-Naphthylmethyl)piperazine
CID 701891
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1,2,3,4-Tetrahydro-1-phenylisoquinoline
CID 100137
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10375551
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 4141883

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine (CID 107878026) is [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine is NCc1cc(CN2CCc3ccccc3C2)ccc1F.
What is the InChIKey of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine?
The InChIKey is KKDXWSNSMCOEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-17-6-5-13(9-16(17)10-19)11-20-8-7-14-3-1-2-4-15(14)12-20/h1-6,9H,7-8,10-12,19H2.
What are the key properties of [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine?
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine has a molecular weight of 270.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).