1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine

C24H31N3 — CID 124821762

IUPAC1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C24H31N3/c1-3-26-14-8-11-22(26)16-25-15-21-18-27(24-13-7-6-12-23(21)24)17-20-10-5-4-9-19(20)2/h4-7,9-10,12-13,18,22,25H,3,8,11,14-17H2,1-2H3/t22-/m0/s1
InChIKeyPMHZGLPRVJLXRI-QFIPXVFZSA-N
MW361.53 g/mol
LogP4.57
Rot. Bonds7

About 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine (PubChem CID 124821762) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
PubChem CID124821762
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine
SMILESCCN1CCC[C@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12
InChIInChI=1S/C24H31N3/c1-3-26-14-8-11-22(26)16-25-15-21-18-27(24-13-7-6-12-23(21)24)17-20-10-5-4-9-19(20)2/h4-7,9-10,12-13,18,22,25H,3,8,11,14-17H2,1-2H3/t22-/m0/s1
InChIKeyPMHZGLPRVJLXRI-QFIPXVFZSA-N
XLogP4.57
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628483
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628493
3-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid
CID 6625254
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850213
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]benzoic acid;dihydrochloride
CID 17215973
1-(1-ethylpyrrolidin-2-yl)-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 62999542
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine?
The IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine (CID 124821762) is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine.
What is the SMILES notation for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine?
The canonical SMILES for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine is CCN1CCC[C@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12.
What is the InChIKey of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine?
The InChIKey is PMHZGLPRVJLXRI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H31N3/c1-3-26-14-8-11-22(26)16-25-15-21-18-27(24-13-7-6-12-23(21)24)17-20-10-5-4-9-19(20)2/h4-7,9-10,12-13,18,22,25H,3,8,11,14-17H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine?
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine has a molecular weight of 361.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]methanamine is sourced from PubChem (CID 124821762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).