2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol

C14H21ClN2O2 — CID 82544787

IUPAC2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol
SMILESCc1c(Cl)ccc2c1CN(CCOCCO)C2CN
InChIInChI=1S/C14H21ClN2O2/c1-10-12-9-17(4-6-19-7-5-18)14(8-16)11(12)2-3-13(10)15/h2-3,14,18H,4-9,16H2,1H3
InChIKeyCAUJPXCEJIVFDB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.47
Rot. Bonds6

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

2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol (PubChem CID 82544787) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol
PubChem CID82544787
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol
SMILESCc1c(Cl)ccc2c1CN(CCOCCO)C2CN
InChIInChI=1S/C14H21ClN2O2/c1-10-12-9-17(4-6-19-7-5-18)14(8-16)11(12)2-3-13(10)15/h2-3,14,18H,4-9,16H2,1H3
InChIKeyCAUJPXCEJIVFDB-UHFFFAOYSA-N
XLogP1.47
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol (CID 82544787) is 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol is Cc1c(Cl)ccc2c1CN(CCOCCO)C2CN.
What is the InChIKey of 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol?
The InChIKey is CAUJPXCEJIVFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-12-9-17(4-6-19-7-5-18)14(8-16)11(12)2-3-13(10)15/h2-3,14,18H,4-9,16H2,1H3.
What are the key properties of 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol?
2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol has a molecular weight of 284.79 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]ethoxy]ethanol is sourced from PubChem (CID 82544787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).