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

C19H23FN2 — CID 82163851

IUPACN-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C19H23FN2/c1-2-21-12-16-3-6-17-13-22(14-18(17)11-16)10-9-15-4-7-19(20)8-5-15/h3-8,11,21H,2,9-10,12-14H2,1H3
InChIKeyYSFDBJBVTWPMJI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.49
Rot. Bonds6

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

N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine (PubChem CID 82163851) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine
PubChem CID82163851
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC NameN-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2
InChIInChI=1S/C19H23FN2/c1-2-21-12-16-3-6-17-13-22(14-18(17)11-16)10-9-15-4-7-19(20)8-5-15/h3-8,11,21H,2,9-10,12-14H2,1H3
InChIKeyYSFDBJBVTWPMJI-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
N-(4-ethylbenzyl)-N-(4-fluorobenzyl)amine
CID 834395
(1S,2R,5S)-5-(isoindolin-2-yl)-2-(2,4,5-trifluorophenyl)cyclohexanamine
CID 11523077
1,4-Dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 15628574
N',N'-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,3-diamine
CID 21936448
(1S,9R)-1,12-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 44274667
N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,3-diamine
CID 44535630
N,N-Diethyl-N'-(4'-trifluoromethylbiphenyl-4-ylmethyl)-ethane-1,2-diamine
CID 11233414
N-(4-ethylbenzyl)-N-[2-(4-fluorophenyl)ethyl]amine
CID 1814918
N-[2-(2-fluorophenyl)ethyl]-N-(4-methylbenzyl)amine
CID 15945582
(1S,9R)-1,13-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
CID 44274934
(1S,9R)-1,5-dimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene
CID 44274977

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine (CID 82163851) is N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine is CCNCc1ccc2c(c1)CN(CCc1ccc(F)cc1)C2.
What is the InChIKey of N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
The InChIKey is YSFDBJBVTWPMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-2-21-12-16-3-6-17-13-22(14-18(17)11-16)10-9-15-4-7-19(20)8-5-15/h3-8,11,21H,2,9-10,12-14H2,1H3.
What are the key properties of N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine?
N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82163851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).