2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol

C11H14Cl2N2O — CID 82544408

IUPAC2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol
SMILESNCC1c2ccc(Cl)c(Cl)c2CN1CCO
InChIInChI=1S/C11H14Cl2N2O/c12-9-2-1-7-8(11(9)13)6-15(3-4-16)10(7)5-14/h1-2,10,16H,3-6,14H2
InChIKeyMPBGAAIENZSZTD-UHFFFAOYSA-N
MW261.15 g/mol
LogP1.80
Rot. Bonds3

About 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol

2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol (PubChem CID 82544408) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol
PubChem CID82544408
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol
SMILESNCC1c2ccc(Cl)c(Cl)c2CN1CCO
InChIInChI=1S/C11H14Cl2N2O/c12-9-2-1-7-8(11(9)13)6-15(3-4-16)10(7)5-14/h1-2,10,16H,3-6,14H2
InChIKeyMPBGAAIENZSZTD-UHFFFAOYSA-N
XLogP1.80
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol?
The IUPAC name of 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol (CID 82544408) is 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol.
What is the SMILES notation for 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol?
The canonical SMILES for 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol is NCC1c2ccc(Cl)c(Cl)c2CN1CCO.
What is the InChIKey of 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol?
The InChIKey is MPBGAAIENZSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-9-2-1-7-8(11(9)13)6-15(3-4-16)10(7)5-14/h1-2,10,16H,3-6,14H2.
What are the key properties of 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol?
2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol has a molecular weight of 261.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,5-dichloro-1,3-dihydroisoindol-2-yl]ethanol is sourced from PubChem (CID 82544408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).