2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine

C14H24N2O — CID 83213099

IUPAC2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCCOCCn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C14H24N2O/c1-2-3-8-17-9-7-16-10-12-5-4-6-14(15)13(12)11-16/h10-11,14H,2-9,15H2,1H3
InChIKeySFNQBNHMORQJNO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.64
Rot. Bonds6

About 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine

2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213099) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213099
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCCCCOCCn1cc2c(c1)C(N)CCC2
InChIInChI=1S/C14H24N2O/c1-2-3-8-17-9-7-16-10-12-5-4-6-14(15)13(12)11-16/h10-11,14H,2-9,15H2,1H3
InChIKeySFNQBNHMORQJNO-UHFFFAOYSA-N
XLogP2.64
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213099) is 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine is CCCCOCCn1cc2c(c1)C(N)CCC2.
What is the InChIKey of 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is SFNQBNHMORQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-8-17-9-7-16-10-12-5-4-6-14(15)13(12)11-16/h10-11,14H,2-9,15H2,1H3.
What are the key properties of 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine?
2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).