2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine

C18H23FN2 — CID 83203091

IUPAC2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C18H23FN2/c1-2-10-20-18-5-3-4-15-12-21(13-17(15)18)11-14-6-8-16(19)9-7-14/h6-9,12-13,18,20H,2-5,10-11H2,1H3
InChIKeyHSKLYCPFVBBKPW-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.05
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine

2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83203091) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83203091
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCNC1CCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C18H23FN2/c1-2-10-20-18-5-3-4-15-12-21(13-17(15)18)11-14-6-8-16(19)9-7-14/h6-9,12-13,18,20H,2-5,10-11H2,1H3
InChIKeyHSKLYCPFVBBKPW-UHFFFAOYSA-N
XLogP4.05
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83203091) is 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine is CCCNC1CCCc2cn(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is HSKLYCPFVBBKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-2-10-20-18-5-3-4-15-12-21(13-17(15)18)11-14-6-8-16(19)9-7-14/h6-9,12-13,18,20H,2-5,10-11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 286.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83203091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).