1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine

C16H22N2 — CID 79102391

IUPAC1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCc1cc(C)c(Cn2ccc(C(C)N)c2)c(C)c1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)16(13(3)8-11)10-18-6-5-15(9-18)14(4)17/h5-9,14H,10,17H2,1-4H3
InChIKeyJMRBCBVNIRKFPB-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.48
Rot. Bonds3

About 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine

1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 79102391) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
PubChem CID79102391
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
SMILESCc1cc(C)c(Cn2ccc(C(C)N)c2)c(C)c1
InChIInChI=1S/C16H22N2/c1-11-7-12(2)16(13(3)8-11)10-18-6-5-15(9-18)14(4)17/h5-9,14H,10,17H2,1-4H3
InChIKeyJMRBCBVNIRKFPB-UHFFFAOYSA-N
XLogP3.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79107999
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 114346672
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one
CID 82992302
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]ethanamine
CID 79102092
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801318
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
CID 79103080
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrrol-3-yl]ethanamine
CID 104801316
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405540
1-[1-(quinolin-2-ylmethyl)pyrrol-3-yl]ethanamine
CID 79102695
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098047

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine (CID 79102391) is 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine is Cc1cc(C)c(Cn2ccc(C(C)N)c2)c(C)c1.
What is the InChIKey of 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is JMRBCBVNIRKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-7-12(2)16(13(3)8-11)10-18-6-5-15(9-18)14(4)17/h5-9,14H,10,17H2,1-4H3.
What are the key properties of 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine?
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79102391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).