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

C16H22N2 — CID 116828241

IUPACN-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2ccc(C(C)C)cc2)[nH]c1C
InChIInChI=1S/C16H22N2/c1-11(2)13-5-7-14(8-6-13)16-9-15(10-17-4)12(3)18-16/h5-9,11,17-18H,10H2,1-4H3
InChIKeyUSWVISQVDLBIFA-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.83
Rot. Bonds4

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

N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine (PubChem CID 116828241) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
PubChem CID116828241
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2ccc(C(C)C)cc2)[nH]c1C
InChIInChI=1S/C16H22N2/c1-11(2)13-5-7-14(8-6-13)16-9-15(10-17-4)12(3)18-16/h5-9,11,17-18H,10H2,1-4H3
InChIKeyUSWVISQVDLBIFA-UHFFFAOYSA-N
XLogP3.83
TPSA27.82 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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine 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

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-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
CID 116828291
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
N-methyl-1-[2-methyl-5-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828270
N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828293
N-methyl-1-[2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828335
N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
CID 116828347
N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
CID 54851114
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
N-methyl-1-[3-methyl-4-(4-propan-2-ylphenyl)phenyl]methanamine
CID 66481817
2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198735
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine (CID 116828241) is N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine is CNCc1cc(-c2ccc(C(C)C)cc2)[nH]c1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is USWVISQVDLBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)13-5-7-14(8-6-13)16-9-15(10-17-4)12(3)18-16/h5-9,11,17-18H,10H2,1-4H3.
What are the key properties of N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.83, 4 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-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 116828241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).