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

C13H14Cl2N2 — CID 66403663

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H14Cl2N2/c1-16-7-10-4-5-17(8-10)9-11-6-12(14)2-3-13(11)15/h2-6,8,16H,7,9H2,1H3
InChIKeyVAWKKCRSRQPIOP-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.56
Rot. Bonds4

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

1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66403663) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66403663
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H14Cl2N2/c1-16-7-10-4-5-17(8-10)9-11-6-12(14)2-3-13(11)15/h2-6,8,16H,7,9H2,1H3
InChIKeyVAWKKCRSRQPIOP-UHFFFAOYSA-N
XLogP3.56
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66398066
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404892
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]ethanone
CID 79106517
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79110166
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104615
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
[1-[(2,4-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400580
2-fluoro-5-[[3-(methylaminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 107883313
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine (CID 66403663) is 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is VAWKKCRSRQPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-16-7-10-4-5-17(8-10)9-11-6-12(14)2-3-13(11)15/h2-6,8,16H,7,9H2,1H3.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 269.18 g/mol, XLogP of 3.56, 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-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).