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

C12H12Cl2N2 — CID 107307260

IUPAC[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2/c13-11-5-1-3-9(12(11)14)8-16-6-2-4-10(16)7-15/h1-6H,7-8,15H2
InChIKeyOLSVHGKYZGNJQP-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.30
Rot. Bonds3

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

[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine (PubChem CID 107307260) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine
PubChem CID107307260
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine
SMILESNCc1cccn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2/c13-11-5-1-3-9(12(11)14)8-16-6-2-4-10(16)7-15/h1-6H,7-8,15H2
InChIKeyOLSVHGKYZGNJQP-UHFFFAOYSA-N
XLogP3.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-2-yl]methanamine
CID 66410135
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
CID 107309943
5-[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]-2H-triazole-4-carbonitrile
CID 122478797
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrol-2-yl]methanamine
CID 66409261
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 810153
3-[[2-(aminomethyl)pyrrol-1-yl]methyl]benzonitrile
CID 66407949
2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide
CID 66408399
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 102856743
3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
[5-(2-chloro-4-fluorophenyl)-3-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]methanamine
CID 24764516

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine (CID 107307260) is [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine is NCc1cccn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine?
The InChIKey is OLSVHGKYZGNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c13-11-5-1-3-9(12(11)14)8-16-6-2-4-10(16)7-15/h1-6H,7-8,15H2.
What are the key properties of [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine?
[1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine has a molecular weight of 255.15 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dichlorophenyl)methyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 107307260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).