2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine

C16H22N2 — CID 82293455

IUPAC2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(C(CN)c2cc[nH]c2)cc1
InChIInChI=1S/C16H22N2/c1-16(2,3)14-6-4-12(5-7-14)15(10-17)13-8-9-18-11-13/h4-9,11,15,18H,10,17H2,1-3H3
InChIKeyBGCWBCHLZGCFIN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.40
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine

2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 82293455) 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-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID82293455
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(C(CN)c2cc[nH]c2)cc1
InChIInChI=1S/C16H22N2/c1-16(2,3)14-6-4-12(5-7-14)15(10-17)13-8-9-18-11-13/h4-9,11,15,18H,10,17H2,1-3H3
InChIKeyBGCWBCHLZGCFIN-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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Related Compounds

2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82293454
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834468
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
CID 83987721
2-(2-bromophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82304019
2-(2-chlorophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82286441
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834499
2-(4-tert-butylphenyl)-3-phenylbutan-1-amine
CID 82140242
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
1-N,2-dimethyl-1-(1H-pyrrol-3-yl)propane-1,2-diamine
CID 116948256

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine (CID 82293455) is 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine is CC(C)(C)c1ccc(C(CN)c2cc[nH]c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is BGCWBCHLZGCFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,3)14-6-4-12(5-7-14)15(10-17)13-8-9-18-11-13/h4-9,11,15,18H,10,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-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-3-yl)ethanamine is sourced from PubChem (CID 82293455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).