1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine

C15H18Cl2N2 — CID 107307293

IUPAC1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H18Cl2N2/c1-2-4-14(18)11-7-8-19(9-11)10-12-5-3-6-13(16)15(12)17/h3,5-9,14H,2,4,10,18H2,1H3
InChIKeyRYQUMISVLVUFNE-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.64
Rot. Bonds5

About 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine

1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 107307293) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID107307293
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H18Cl2N2/c1-2-4-14(18)11-7-8-19(9-11)10-12-5-3-6-13(16)15(12)17/h3,5-9,14H,2,4,10,18H2,1H3
InChIKeyRYQUMISVLVUFNE-UHFFFAOYSA-N
XLogP4.64
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 107307292
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109675
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108390
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108923
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-3-yl]butan-1-amine
CID 79108042
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098047
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104615
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104946
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108236

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine (CID 107307293) is 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is RYQUMISVLVUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-2-4-14(18)11-7-8-19(9-11)10-12-5-3-6-13(16)15(12)17/h3,5-9,14H,2,4,10,18H2,1H3.
What are the key properties of 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine?
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 297.23 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 107307293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).