1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine

C18H21FN2 — CID 82163795

IUPAC1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C18H21FN2/c1-20-11-15-2-5-16-12-21(13-17(16)10-15)9-8-14-3-6-18(19)7-4-14/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyZOJMQPHOHRGFNE-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine

1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine (PubChem CID 82163795) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
PubChem CID82163795
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
SMILESCNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C18H21FN2/c1-20-11-15-2-5-16-12-21(13-17(16)10-15)9-8-14-3-6-18(19)7-4-14/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyZOJMQPHOHRGFNE-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine (CID 82163795) is 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine is CNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
The InChIKey is ZOJMQPHOHRGFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-20-11-15-2-5-16-12-21(13-17(16)10-15)9-8-14-3-6-18(19)7-4-14/h2-7,10,20H,8-9,11-13H2,1H3.
What are the key properties of 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine?
1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82163795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).