(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine

C16H17FN2 — CID 78935636

IUPAC(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c1-11(18)16-14(17)7-4-8-15(16)19-9-12-5-2-3-6-13(12)10-19/h2-8,11H,9-10,18H2,1H3/t11-/m1/s1
InChIKeyNTQLPEQVFJPYEL-LLVKDONJSA-N
MW256.32 g/mol
LogP3.37
Rot. Bonds2

About (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine

(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine (PubChem CID 78935636) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
PubChem CID78935636
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c1-11(18)16-14(17)7-4-8-15(16)19-9-12-5-2-3-6-13(12)10-19/h2-8,11H,9-10,18H2,1H3/t11-/m1/s1
InChIKeyNTQLPEQVFJPYEL-LLVKDONJSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-fluorophenyl]ethanamine
CID 63369049
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
2-(1,3-dihydroisoindol-2-yl)-6-fluoroaniline
CID 62205545
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 115560206
1-[2-(4-tert-butylpiperazin-1-yl)-6-fluorophenyl]ethanamine
CID 61432786
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
CID 103534523
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluorophenyl]ethanamine
CID 43581575
1-[2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63532709
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928
(1S)-1-[2-fluoro-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78930955

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine (CID 78935636) is (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1N1Cc2ccccc2C1.
What is the InChIKey of (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine?
The InChIKey is NTQLPEQVFJPYEL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2/c1-11(18)16-14(17)7-4-8-15(16)19-9-12-5-2-3-6-13(12)10-19/h2-8,11H,9-10,18H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine has a molecular weight of 256.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 78935636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).