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

C21H23ClN2O — CID 124895108

IUPACN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESClc1cccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)c1
InChIInChI=1S/C21H23ClN2O/c22-18-6-3-5-16(11-18)14-24-15-17(20-8-1-2-9-21(20)24)12-23-13-19-7-4-10-25-19/h1-3,5-6,8-9,11,15,19,23H,4,7,10,12-14H2/t19-/m0/s1
InChIKeyASQQDXADFVIYCH-IBGZPJMESA-N
MW354.88 g/mol
LogP4.61
Rot. Bonds6

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

N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 124895108) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID124895108
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESClc1cccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)c1
InChIInChI=1S/C21H23ClN2O/c22-18-6-3-5-16(11-18)14-24-15-17(20-8-1-2-9-21(20)24)12-23-13-19-7-4-10-25-19/h1-3,5-6,8-9,11,15,19,23H,4,7,10,12-14H2/t19-/m0/s1
InChIKeyASQQDXADFVIYCH-IBGZPJMESA-N
XLogP4.61
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine with MolForge

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Related Compounds

N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
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-[(3-chlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895563
1-[(3-chlorophenyl)methyl]-3-[(oxolan-2-ylmethylamino)methyl]indole-2-carboxylic acid
CID 126457150
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805206
2-[2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylamino]ethoxy]ethanol
CID 124786059
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N',N'-dibutyl-N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]propane-1,3-diamine
CID 124823651

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 124895108) is N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is Clc1cccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is ASQQDXADFVIYCH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-18-6-3-5-16(11-18)14-24-15-17(20-8-1-2-9-21(20)24)12-23-13-19-7-4-10-25-19/h1-3,5-6,8-9,11,15,19,23H,4,7,10,12-14H2/t19-/m0/s1.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 354.88 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 124895108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).