1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole

C20H22N2 — CID 162743380

IUPAC1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
SMILESCn1cc(CN2CC[C@@H](c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H22N2/c1-21-13-18(19-9-5-6-10-20(19)21)15-22-12-11-17(14-22)16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3/t17-/m1/s1
InChIKeyQNFBQTKBVNRNEF-QGZVFWFLSA-N
MW290.41 g/mol
LogP4.17
Rot. Bonds3

About 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole

1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole (PubChem CID 162743380) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
PubChem CID162743380
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
SMILESCn1cc(CN2CC[C@@H](c3ccccc3)C2)c2ccccc21
InChIInChI=1S/C20H22N2/c1-21-13-18(19-9-5-6-10-20(19)21)15-22-12-11-17(14-22)16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3/t17-/m1/s1
InChIKeyQNFBQTKBVNRNEF-QGZVFWFLSA-N
XLogP4.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
N,N-dimethyl-3-[(3S)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 95812584
(5aS,9aR)-4-methyl-7-[(1-methylindol-3-yl)methyl]-3,5a,6,8,9,9a-hexahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
CID 146070032
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
(4aR,7aS)-6-[(1-methylindol-3-yl)methyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 56774958
(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124815692
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole?
The IUPAC name of 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole (CID 162743380) is 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole.
What is the SMILES notation for 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole?
The canonical SMILES for 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole is Cn1cc(CN2CC[C@@H](c3ccccc3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole?
The InChIKey is QNFBQTKBVNRNEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2/c1-21-13-18(19-9-5-6-10-20(19)21)15-22-12-11-17(14-22)16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole?
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole has a molecular weight of 290.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole is sourced from PubChem (CID 162743380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).