1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

C15H18Cl2N2 — CID 79098047

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H18Cl2N2/c1-10(2)15(18)11-6-7-19(8-11)9-12-13(16)4-3-5-14(12)17/h3-8,10,15H,9,18H2,1-2H3
InChIKeyOABRYOJCTOAWLL-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.50
Rot. Bonds4

About 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79098047) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79098047
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccn(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H18Cl2N2/c1-10(2)15(18)11-6-7-19(8-11)9-12-13(16)4-3-5-14(12)17/h3-8,10,15H,9,18H2,1-2H3
InChIKeyOABRYOJCTOAWLL-UHFFFAOYSA-N
XLogP4.50
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097126
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098872
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 107307293
2-[3-(1-amino-2-methylpropyl)pyrrol-1-yl]acetamide
CID 79096871
1-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097031
2-methyl-1-[1-(1,3-thiazol-4-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097204
1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097206
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79096953
1-[(2,6-dichlorophenyl)methyl]pyrrole
CID 63811760
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79108236
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097208

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (CID 79098047) is 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccn(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is OABRYOJCTOAWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-10(2)15(18)11-6-7-19(8-11)9-12-13(16)4-3-5-14(12)17/h3-8,10,15H,9,18H2,1-2H3.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 297.23 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79098047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).