2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline

C15H19FN2 — CID 114254465

IUPAC2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1cccc(C)c1F
InChIInChI=1S/C15H19FN2/c1-3-9-18-10-5-7-13(18)11-17-14-8-4-6-12(2)15(14)16/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyCYWLVMYWJAJNRB-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.96
Rot. Bonds5

About 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline

2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 114254465) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID114254465
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1cccc(C)c1F
InChIInChI=1S/C15H19FN2/c1-3-9-18-10-5-7-13(18)11-17-14-8-4-6-12(2)15(14)16/h4-8,10,17H,3,9,11H2,1-2H3
InChIKeyCYWLVMYWJAJNRB-UHFFFAOYSA-N
XLogP3.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 114254465) is 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCn1cccc1CNc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is CYWLVMYWJAJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-9-18-10-5-7-13(18)11-17-14-8-4-6-12(2)15(14)16/h4-8,10,17H,3,9,11H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline?
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 246.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 114254465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).