(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine

C13H15FN2O — CID 125466594

IUPAC(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-17-9-12(15)10-4-5-13(11(14)8-10)16-6-2-3-7-16/h2-8,12H,9,15H2,1H3/t12-/m0/s1
InChIKeyXQNUUHIDADPUNK-LBPRGKRZSA-N
MW234.27 g/mol
LogP2.26
Rot. Bonds4

About (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine

(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine (PubChem CID 125466594) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine
PubChem CID125466594
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc(-n2cccc2)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-17-9-12(15)10-4-5-13(11(14)8-10)16-6-2-3-7-16/h2-8,12H,9,15H2,1H3/t12-/m0/s1
InChIKeyXQNUUHIDADPUNK-LBPRGKRZSA-N
XLogP2.26
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
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(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
1-(3-fluorophenyl)-2-methoxyethanamine
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(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
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(1R)-1-(3,5-difluorophenyl)-2-methoxyethanamine
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(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
CID 130658137
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine (CID 125466594) is (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine is COC[C@H](N)c1ccc(-n2cccc2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine?
The InChIKey is XQNUUHIDADPUNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-17-9-12(15)10-4-5-13(11(14)8-10)16-6-2-3-7-16/h2-8,12H,9,15H2,1H3/t12-/m0/s1.
What are the key properties of (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine?
(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine has a molecular weight of 234.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine is sourced from PubChem (CID 125466594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).