(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

C11H15FN2 — CID 82545658

IUPAC(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C11H15FN2/c1-2-14-7-9-8(11(14)6-13)4-3-5-10(9)12/h3-5,11H,2,6-7,13H2,1H3
InChIKeyJRWYTXAKWCBJLJ-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.66
Rot. Bonds2

About (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine

(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82545658) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82545658
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
SMILESCCN1Cc2c(F)cccc2C1CN
InChIInChI=1S/C11H15FN2/c1-2-14-7-9-8(11(14)6-13)4-3-5-10(9)12/h3-5,11H,2,6-7,13H2,1H3
InChIKeyJRWYTXAKWCBJLJ-UHFFFAOYSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545606
(2-butan-2-yl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545651
[4-fluoro-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545586
[4-fluoro-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545594
[4-fluoro-2-[(1-methylimidazol-2-yl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545621
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
(2-cycloheptyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545619
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
(2-ethyl-7-fluoro-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544863
[2-[(2-fluorophenyl)methyl]-1,3-dihydrobenzo[e]isoindol-3-yl]methanamine
CID 110449747
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
(2-hexyl-4-methoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82545401

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine (CID 82545658) is (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is CCN1Cc2c(F)cccc2C1CN.
What is the InChIKey of (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is JRWYTXAKWCBJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-2-14-7-9-8(11(14)6-13)4-3-5-10(9)12/h3-5,11H,2,6-7,13H2,1H3.
What are the key properties of (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine?
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 194.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82545658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).