[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine

C16H17FN2 — CID 64769111

IUPAC[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c17-16-6-5-12(8-18)15(7-16)11-19-9-13-3-1-2-4-14(13)10-19/h1-7H,8-11,18H2
InChIKeyMKDZAINGYNWOAU-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.80
Rot. Bonds3

About [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine

[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine (PubChem CID 64769111) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
PubChem CID64769111
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CN1Cc2ccccc2C1
InChIInChI=1S/C16H17FN2/c17-16-6-5-12(8-18)15(7-16)11-19-9-13-3-1-2-4-14(13)10-19/h1-7H,8-11,18H2
InChIKeyMKDZAINGYNWOAU-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine (CID 64769111) is [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CN1Cc2ccccc2C1.
What is the InChIKey of [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is MKDZAINGYNWOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c17-16-6-5-12(8-18)15(7-16)11-19-9-13-3-1-2-4-14(13)10-19/h1-7H,8-11,18H2.
What are the key properties of [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine?
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 256.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 64769111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).