N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine

C16H22N2 — CID 116828293

IUPACN-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc(C)c(C)cc2C)[nH]c1C
InChIInChI=1S/C16H22N2/c1-10-6-12(3)15(7-11(10)2)16-8-14(9-17-5)13(4)18-16/h6-8,17-18H,9H2,1-5H3
InChIKeyPUTFXAQDRUQCBG-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.63
Rot. Bonds3

About N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine

N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine (PubChem CID 116828293) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
PubChem CID116828293
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc(C)c(C)cc2C)[nH]c1C
InChIInChI=1S/C16H22N2/c1-10-6-12(3)15(7-11(10)2)16-8-14(9-17-5)13(4)18-16/h6-8,17-18H,9H2,1-5H3
InChIKeyPUTFXAQDRUQCBG-UHFFFAOYSA-N
XLogP3.63
TPSA27.82 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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828335
N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828297
N-methyl-1-[2-methyl-5-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828270
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
CID 116828347
N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
CID 116828291
N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828241
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
CID 116880034
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369
N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 62795802
1-[5-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95475764
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine (CID 116828293) is N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine is CNCc1cc(-c2cc(C)c(C)cc2C)[nH]c1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is PUTFXAQDRUQCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-12(3)15(7-11(10)2)16-8-14(9-17-5)13(4)18-16/h6-8,17-18H,9H2,1-5H3.
What are the key properties of N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 116828293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).