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

C16H22N2 — CID 66405700

IUPACN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H22N2/c1-12-7-13(2)16(14(3)8-12)11-18-6-5-15(10-18)9-17-4/h5-8,10,17H,9,11H2,1-4H3
InChIKeyVGXUANPZBXZBOT-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.18
Rot. Bonds4

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

N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 66405700) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
PubChem CID66405700
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H22N2/c1-12-7-13(2)16(14(3)8-12)11-18-6-5-15(10-18)9-17-4/h5-8,10,17H,9,11H2,1-4H3
InChIKeyVGXUANPZBXZBOT-UHFFFAOYSA-N
XLogP3.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405540
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404892
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
CID 66406304
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
3-amino-1-[(2,4,6-trimethylphenyl)methyl]pyridin-4-one
CID 82992302
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
CID 79261826
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403663
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405935
2-fluoro-5-[[3-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883313

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine (CID 66405700) is N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine is CNCc1ccn(Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is VGXUANPZBXZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-7-13(2)16(14(3)8-12)11-18-6-5-15(10-18)9-17-4/h5-8,10,17H,9,11H2,1-4H3.
What are the key properties of N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine?
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66405700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).