2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine

C16H22N2 — CID 82293454

IUPAC2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESCC(C)(C)c1ccc(C(CN)c2ccc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-16(2,3)13-8-6-12(7-9-13)14(11-17)15-5-4-10-18-15/h4-10,14,18H,11,17H2,1-3H3
InChIKeyCYQCTPJGGVNNKZ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine

2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine (PubChem CID 82293454) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
PubChem CID82293454
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESCC(C)(C)c1ccc(C(CN)c2ccc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-16(2,3)13-8-6-12(7-9-13)14(11-17)15-5-4-10-18-15/h4-10,14,18H,11,17H2,1-3H3
InChIKeyCYQCTPJGGVNNKZ-UHFFFAOYSA-N
XLogP3.40
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine (CID 82293454) is 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine is CC(C)(C)c1ccc(C(CN)c2ccc[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is CYQCTPJGGVNNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)13-8-6-12(7-9-13)14(11-17)15-5-4-10-18-15/h4-10,14,18H,11,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine?
2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 82293454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).