(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine

C18H21N3O — CID 46178831

IUPAC(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](c1ccccc1)n1ccc2nccc(OC)c21
InChIInChI=1S/C18H21N3O/c1-19-11-8-16(14-6-4-3-5-7-14)21-13-10-15-18(21)17(22-2)9-12-20-15/h3-7,9-10,12-13,16,19H,8,11H2,1-2H3/t16-/m0/s1
InChIKeyNVFHHKRGEYWPTA-INIZCTEOSA-N
MW295.39 g/mol
LogP3.24
Rot. Bonds6

About (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine

(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 46178831) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID46178831
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](c1ccccc1)n1ccc2nccc(OC)c21
InChIInChI=1S/C18H21N3O/c1-19-11-8-16(14-6-4-3-5-7-14)21-13-10-15-18(21)17(22-2)9-12-20-15/h3-7,9-10,12-13,16,19H,8,11H2,1-2H3/t16-/m0/s1
InChIKeyNVFHHKRGEYWPTA-INIZCTEOSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
CID 141401683
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 58088581
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088506
3-(4-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 25261735
3-(4-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088467
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
2-(2-ethylimidazol-1-yl)-N-methyl-2-phenylethanamine
CID 62443341
N-methyl-2-phenyl-2-(2-phenylimidazol-1-yl)ethanamine
CID 62566802

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine (CID 46178831) is (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine is CNCC[C@@H](c1ccccc1)n1ccc2nccc(OC)c21.
What is the InChIKey of (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is NVFHHKRGEYWPTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O/c1-19-11-8-16(14-6-4-3-5-7-14)21-13-10-15-18(21)17(22-2)9-12-20-15/h3-7,9-10,12-13,16,19H,8,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine?
(3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(7-methoxypyrrolo[3,2-b]pyridin-1-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 46178831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).