1-ethyl-3-methylisoindol-2-amine

C11H14N2 — CID 134511004

IUPAC1-ethyl-3-methylisoindol-2-amine
SMILESCCc1c2ccccc2c(C)n1N
InChIInChI=1S/C11H14N2/c1-3-11-10-7-5-4-6-9(10)8(2)13(11)12/h4-7H,3,12H2,1-2H3
InChIKeyBWZNFRVPMQQXCO-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.23
Rot. Bonds1

About 1-ethyl-3-methylisoindol-2-amine

1-ethyl-3-methylisoindol-2-amine (PubChem CID 134511004) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-ethyl-3-methylisoindol-2-amine.

Molecular Properties

Compound Name1-ethyl-3-methylisoindol-2-amine
PubChem CID134511004
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-ethyl-3-methylisoindol-2-amine
SMILESCCc1c2ccccc2c(C)n1N
InChIInChI=1S/C11H14N2/c1-3-11-10-7-5-4-6-9(10)8(2)13(11)12/h4-7H,3,12H2,1-2H3
InChIKeyBWZNFRVPMQQXCO-UHFFFAOYSA-N
XLogP2.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylisoindol-2-amine?
The IUPAC name of 1-ethyl-3-methylisoindol-2-amine (CID 134511004) is 1-ethyl-3-methylisoindol-2-amine.
What is the SMILES notation for 1-ethyl-3-methylisoindol-2-amine?
The canonical SMILES for 1-ethyl-3-methylisoindol-2-amine is CCc1c2ccccc2c(C)n1N.
What is the InChIKey of 1-ethyl-3-methylisoindol-2-amine?
The InChIKey is BWZNFRVPMQQXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-11-10-7-5-4-6-9(10)8(2)13(11)12/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-3-methylisoindol-2-amine?
1-ethyl-3-methylisoindol-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylisoindol-2-amine is sourced from PubChem (CID 134511004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).