(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C17H19N3O — CID 81381224

IUPAC(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C17H19N3O/c1-12(13-5-3-6-15(9-13)21-2)19-10-14-11-20-17-16(14)7-4-8-18-17/h3-9,11-12,19H,10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyUZHZLMRZDKRNEJ-GFCCVEGCSA-N
MW281.36 g/mol
LogP3.42
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 81381224) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID81381224
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C17H19N3O/c1-12(13-5-3-6-15(9-13)21-2)19-10-14-11-20-17-16(14)7-4-8-18-17/h3-9,11-12,19H,10H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyUZHZLMRZDKRNEJ-GFCCVEGCSA-N
XLogP3.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81364743
(1S)-1-(4-methylphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81356963
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1S)-N-(1H-indol-4-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81353840
2,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414633
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
(1R)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1S)-N-(1-benzofuran-3-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354737
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 81381224) is (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is COc1cccc([C@@H](C)NCc2c[nH]c3ncccc23)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is UZHZLMRZDKRNEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-5-3-6-15(9-13)21-2)19-10-14-11-20-17-16(14)7-4-8-18-17/h3-9,11-12,19H,10H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 81381224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).