N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C21H24N2O — CID 27210541

IUPACN-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESc1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-2-7-17(8-3-1)15-23-16-18(20-10-4-5-11-21(20)23)13-22-14-19-9-6-12-24-19/h1-5,7-8,10-11,16,19,22H,6,9,12-15H2/t19-/m0/s1
InChIKeyMRUNHYFQUNONMV-IBGZPJMESA-N
MW320.44 g/mol
LogP3.96
Rot. Bonds6

About N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 27210541) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID27210541
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESc1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-2-7-17(8-3-1)15-23-16-18(20-10-4-5-11-21(20)23)13-22-14-19-9-6-12-24-19/h1-5,7-8,10-11,16,19,22H,6,9,12-15H2/t19-/m0/s1
InChIKeyMRUNHYFQUNONMV-IBGZPJMESA-N
XLogP3.96
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124895108
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 124830690
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]indol-3-yl]methanamine
CID 65165521
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 27210541) is N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is c1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1.
What is the InChIKey of N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is MRUNHYFQUNONMV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-7-17(8-3-1)15-23-16-18(20-10-4-5-11-21(20)23)13-22-14-19-9-6-12-24-19/h1-5,7-8,10-11,16,19,22H,6,9,12-15H2/t19-/m0/s1.
What are the key properties of N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 320.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 27210541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).