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

C15H19FN2 — CID 66399856

IUPAC5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(F)ccc2C)c1
InChIInChI=1S/C15H19FN2/c1-3-7-18-8-6-13(11-18)10-17-15-9-14(16)5-4-12(15)2/h4-6,8-9,11,17H,3,7,10H2,1-2H3
InChIKeyIDHZXYWYJQJCTD-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.96
Rot. Bonds5

About 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline

5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66399856) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66399856
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2cc(F)ccc2C)c1
InChIInChI=1S/C15H19FN2/c1-3-7-18-8-6-13(11-18)10-17-15-9-14(16)5-4-12(15)2/h4-6,8-9,11,17H,3,7,10H2,1-2H3
InChIKeyIDHZXYWYJQJCTD-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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Related Compounds

4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66414174
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 105372657
2-bromo-6-chloro-4-fluoro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 107610291
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
2,3-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66400502
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175
5-fluoro-2-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132522
N-[(1-ethylpyrrol-3-yl)methyl]-2-fluoro-5-methylaniline
CID 66397973
N-[(1-ethylpyrrol-3-yl)methyl]-3-fluoro-4-methylaniline
CID 66400274

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66399856) is 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2cc(F)ccc2C)c1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is IDHZXYWYJQJCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-7-18-8-6-13(11-18)10-17-15-9-14(16)5-4-12(15)2/h4-6,8-9,11,17H,3,7,10H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline?
5-fluoro-2-methyl-N-[(1-propylpyrrol-3-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 5-fluoro-2-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).