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

C12H13FN2 — CID 28876782

IUPAC3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cccc(F)c1
InChIInChI=1S/C12H13FN2/c1-15-7-3-6-12(15)9-14-11-5-2-4-10(13)8-11/h2-8,14H,9H2,1H3
InChIKeyGFQNNVJQBZWDQI-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.78
Rot. Bonds3

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

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 28876782) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID28876782
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1cccc(F)c1
InChIInChI=1S/C12H13FN2/c1-15-7-3-6-12(15)9-14-11-5-2-4-10(13)8-11/h2-8,14H,9H2,1H3
InChIKeyGFQNNVJQBZWDQI-UHFFFAOYSA-N
XLogP2.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62129273
1-methyl-2-[[3-(sulfamoylamino)anilino]methyl]pyrrole
CID 62133510
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
N-[(1-methylpyrrol-2-yl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 62133138
2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-benzodioxol-5-amine
CID 62128757
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
N-[(2-ethylpyrazol-3-yl)methyl]-3-fluoroaniline
CID 19619281
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
3-chloro-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877935

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 28876782) is 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cn1cccc1CNc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is GFQNNVJQBZWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-15-7-3-6-12(15)9-14-11-5-2-4-10(13)8-11/h2-8,14H,9H2,1H3.
What are the key properties of 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline?
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 204.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 28876782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).