1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine

C18H19FN2 — CID 123974219

IUPAC1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine
SMILES[H]/N=C(\C)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H19FN2/c1-13(20)16-5-4-15-8-9-21(12-17(15)10-16)11-14-2-6-18(19)7-3-14/h2-7,10,20H,8-9,11-12H2,1H3/b20-13+
InChIKeyGNUHNDVXNNTYQD-DEDYPNTBSA-N
MW282.36 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine

1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine (PubChem CID 123974219) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine
PubChem CID123974219
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine
SMILES[H]/N=C(\C)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C18H19FN2/c1-13(20)16-5-4-15-8-9-21(12-17(15)10-16)11-14-2-6-18(19)7-3-14/h2-7,10,20H,8-9,11-12H2,1H3/b20-13+
InChIKeyGNUHNDVXNNTYQD-DEDYPNTBSA-N
XLogP3.77
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine (CID 123974219) is 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine is [H]/N=C(\C)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine?
The InChIKey is GNUHNDVXNNTYQD-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2/c1-13(20)16-5-4-15-8-9-21(12-17(15)10-16)11-14-2-6-18(19)7-3-14/h2-7,10,20H,8-9,11-12H2,1H3/b20-13+.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine?
1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine has a molecular weight of 282.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]ethanimine is sourced from PubChem (CID 123974219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).