2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine

C16H22N2 — CID 116834468

IUPAC2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCc1ccc(C(C)C)cc1C(CN)c1cc[nH]c1
InChIInChI=1S/C16H22N2/c1-11(2)13-5-4-12(3)15(8-13)16(9-17)14-6-7-18-10-14/h4-8,10-11,16,18H,9,17H2,1-3H3
InChIKeyPWEUIPLDZGUJLC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine

2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116834468) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID116834468
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
SMILESCc1ccc(C(C)C)cc1C(CN)c1cc[nH]c1
InChIInChI=1S/C16H22N2/c1-11(2)13-5-4-12(3)15(8-13)16(9-17)14-6-7-18-10-14/h4-8,10-11,16,18H,9,17H2,1-3H3
InChIKeyPWEUIPLDZGUJLC-UHFFFAOYSA-N
XLogP3.54
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylimidazol-2-yl)-2-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 116834976
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
2-(2-bromophenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82304019
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
2-[5-(difluoromethyl)-2-methylphenyl]propan-1-amine
CID 117288683
2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834499

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine (CID 116834468) is 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine is Cc1ccc(C(C)C)cc1C(CN)c1cc[nH]c1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is PWEUIPLDZGUJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)13-5-4-12(3)15(8-13)16(9-17)14-6-7-18-10-14/h4-8,10-11,16,18H,9,17H2,1-3H3.
What are the key properties of 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine?
2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenyl)-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116834468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).