1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine

C15H20N2 — CID 66404892

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C15H20N2/c1-12-4-5-13(2)15(8-12)11-17-7-6-14(10-17)9-16-3/h4-8,10,16H,9,11H2,1-3H3
InChIKeyZTRROEQXRXBIFO-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.87
Rot. Bonds4

About 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine

1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66404892) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66404892
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C15H20N2/c1-12-4-5-13(2)15(8-12)11-17-7-6-14(10-17)9-16-3/h4-8,10,16H,9,11H2,1-3H3
InChIKeyZTRROEQXRXBIFO-UHFFFAOYSA-N
XLogP2.87
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
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
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
N-[[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 106865909
1-[(2,5-dimethylphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103344
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
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 66406715
1-[1-[(2-bromo-4-nitrophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403883
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (CID 66404892) is 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(Cc2cc(C)ccc2C)c1.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is ZTRROEQXRXBIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12-4-5-13(2)15(8-12)11-17-7-6-14(10-17)9-16-3/h4-8,10,16H,9,11H2,1-3H3.
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66404892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).