4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

C16H17FN2 — CID 24839776

IUPAC4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3
InChIKeyFKNHOQSIGVTVJZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine

4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 24839776) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID24839776
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1Cc2c(N)cccc2C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3
InChIKeyFKNHOQSIGVTVJZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nomifensine
CID 4528
Dimetacrine
CID 94280
(S)-Nomifensine
CID 55993
(+)-Nomifensine
CID 12884652
5-Amino-1,2,3,4-tetrahydroisoquinoline
CID 16217499
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
Monometacrine
CID 145765
Dihydroethidium
CID 128682
3-Butyl-1-(naphthalen-1-yl)piperidin-4-amine
CID 44431763
7-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134139964
7-benzyl-8-fluoro-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
CID 134143977
cis-4-(2-Methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-7-yl)-phenylamine
CID 13457932

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine (CID 24839776) is 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is CN1Cc2c(N)cccc2C(c2ccc(F)cc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is FKNHOQSIGVTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-19-9-14(11-5-7-12(17)8-6-11)13-3-2-4-16(18)15(13)10-19/h2-8,14H,9-10,18H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine?
4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 256.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 24839776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).