1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine

C14H17FN2 — CID 79102847

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2/c1-11(16-2)14-4-3-9-17(14)10-12-5-7-13(15)8-6-12/h3-9,11,16H,10H2,1-2H3
InChIKeyWHKUQLHRFBYRRH-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine

1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine (PubChem CID 79102847) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
PubChem CID79102847
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
SMILESCNC(C)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C14H17FN2/c1-11(16-2)14-4-3-9-17(14)10-12-5-7-13(15)8-6-12/h3-9,11,16H,10H2,1-2H3
InChIKeyWHKUQLHRFBYRRH-UHFFFAOYSA-N
XLogP2.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
methyl 4-[[2-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]benzoate
CID 79102044
4-fluoro-2-[[2-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]benzonitrile
CID 107906688
1-[1-[(4-bromophenyl)methyl]pyrrol-2-yl]-N-ethylethanamine
CID 79102060
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
CID 116790170
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101753
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101642
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102152
N-methyl-1-[1-(phenylmethoxymethyl)pyrrol-2-yl]ethanamine
CID 102940127
N-methyl-1-[1-(quinolin-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102748

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine (CID 79102847) is 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine is CNC(C)c1cccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine?
The InChIKey is WHKUQLHRFBYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-11(16-2)14-4-3-9-17(14)10-12-5-7-13(15)8-6-12/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine?
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine has a molecular weight of 232.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 79102847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).