(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

C13H15FN2 — CID 81368969

IUPAC(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)c1cccc(F)c1
InChIInChI=1S/C13H15FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1
InChIKeyWWWVUWDIFLAETB-SNVBAGLBSA-N
MW218.28 g/mol
LogP3.00
Rot. Bonds4

About (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine

(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (PubChem CID 81368969) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
PubChem CID81368969
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccc[nH]1)c1cccc(F)c1
InChIInChI=1S/C13H15FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1
InChIKeyWWWVUWDIFLAETB-SNVBAGLBSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
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CID 102909354
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365032
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730910
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine (CID 81368969) is (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is C[C@@H](NCc1ccc[nH]1)c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
The InChIKey is WWWVUWDIFLAETB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2/c1-10(11-4-2-5-12(14)8-11)16-9-13-6-3-7-15-13/h2-8,10,15-16H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine?
(1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine has a molecular weight of 218.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluorophenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81368969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).