N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline

C18H21FN2 — CID 23604139

IUPACN-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline
SMILESCCN1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1
InChIInChI=1S/C18H21FN2/c1-3-21-11-15-6-4-5-14(17(15)12-21)10-20-16-8-7-13(2)18(19)9-16/h4-9,20H,3,10-12H2,1-2H3
InChIKeyOZZQXBNGLFBYKX-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.08
Rot. Bonds4

About N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline

N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline (PubChem CID 23604139) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline
PubChem CID23604139
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline
SMILESCCN1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1
InChIInChI=1S/C18H21FN2/c1-3-21-11-15-6-4-5-14(17(15)12-21)10-20-16-8-7-13(2)18(19)9-16/h4-9,20H,3,10-12H2,1-2H3
InChIKeyOZZQXBNGLFBYKX-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline?
The IUPAC name of N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline (CID 23604139) is N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline is CCN1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1.
What is the InChIKey of N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline?
The InChIKey is OZZQXBNGLFBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-3-21-11-15-6-4-5-14(17(15)12-21)10-20-16-8-7-13(2)18(19)9-16/h4-9,20H,3,10-12H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline?
N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-dihydroisoindol-4-yl)methyl]-3-fluoro-4-methylaniline is sourced from PubChem (CID 23604139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).