N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine

C13H15FN2 — CID 103341614

IUPACN-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc[nH]2)ccc1F
InChIInChI=1S/C13H15FN2/c1-2-15-9-11-8-10(5-6-12(11)14)13-4-3-7-16-13/h3-8,15-16H,2,9H2,1H3
InChIKeyJNILPLZRFBXMJU-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.93
Rot. Bonds4

About N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine (PubChem CID 103341614) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
PubChem CID103341614
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC NameN-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc[nH]2)ccc1F
InChIInChI=1S/C13H15FN2/c1-2-15-9-11-8-10(5-6-12(11)14)13-4-3-7-16-13/h3-8,15-16H,2,9H2,1H3
InChIKeyJNILPLZRFBXMJU-UHFFFAOYSA-N
XLogP2.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]ethanamine
CID 103131646
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine (CID 103341614) is N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine is CCNCc1cc(-c2ccc[nH]2)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine?
The InChIKey is JNILPLZRFBXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-15-9-11-8-10(5-6-12(11)14)13-4-3-7-16-13/h3-8,15-16H,2,9H2,1H3.
What are the key properties of N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine has a molecular weight of 218.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(1H-pyrrol-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 103341614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).