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N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine

HCID 67974709
NotesReactions
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Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(F)cc1-c1ccc2cc(NCC3CC3)ncc2c1
InChIKey
RDKXFUHCKBZTQC-UHFFFAOYSA-N
Molecular formula
C20H19FN2
Average molar mass
306.4 g/mol
Monoisotopic mass
306.15322678

Names & identifiers

Preferred name
N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
IUPAC
N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine

Names & synonyms

SCHEMBL9939013CHEMBL3685091RDKXFUHCKBZTQC-UHFFFAOYSA-NBDBM112101US8623889, 99N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine

Database identifiers

PubChem CID
67974709
ChEMBL
CHEMBL3685091

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
24.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
397

Related reactions

2 records
New reaction record
HRID 468746 reaction equation
HRID 468746As productuspto-grants-2014_01
HRID 1502264 reaction equation
HRID 1502264As productuspto-grants-2015_12

Compound notes

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