(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine

C21H27N3O — CID 99820309

IUPAC(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
SMILESCOc1cccc2[nH]cc(CCN[C@H](CC(C)C)c3ccccn3)c12
InChIInChI=1S/C21H27N3O/c1-15(2)13-19(17-7-4-5-11-22-17)23-12-10-16-14-24-18-8-6-9-20(25-3)21(16)18/h4-9,11,14-15,19,23-24H,10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyWZTYRRQOMAPCGT-LJQANCHMSA-N
MW337.47 g/mol
LogP4.49
Rot. Bonds8

About (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine

(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine (PubChem CID 99820309) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
PubChem CID99820309
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
SMILESCOc1cccc2[nH]cc(CCN[C@H](CC(C)C)c3ccccn3)c12
InChIInChI=1S/C21H27N3O/c1-15(2)13-19(17-7-4-5-11-22-17)23-12-10-16-14-24-18-8-6-9-20(25-3)21(16)18/h4-9,11,14-15,19,23-24H,10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyWZTYRRQOMAPCGT-LJQANCHMSA-N
XLogP4.49
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine with MolForge

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Related Compounds

N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
(1S)-3-methyl-1-pyridin-2-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 97229522
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 133452791
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
2-ethyl-6-methoxy-N-[(1S)-1-pyridin-2-ylethyl]aniline
CID 175055680
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
CID 97230542
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine (CID 99820309) is (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine is COc1cccc2[nH]cc(CCN[C@H](CC(C)C)c3ccccn3)c12.
What is the InChIKey of (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
The InChIKey is WZTYRRQOMAPCGT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15(2)13-19(17-7-4-5-11-22-17)23-12-10-16-14-24-18-8-6-9-20(25-3)21(16)18/h4-9,11,14-15,19,23-24H,10,12-13H2,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine?
(1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine has a molecular weight of 337.47 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 99820309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).