N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine

C21H23FN2O — CID 124783754

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESFc1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H23FN2O/c22-18-9-7-16(8-10-18)14-24-15-17(20-5-1-2-6-21(20)24)12-23-13-19-4-3-11-25-19/h1-2,5-10,15,19,23H,3-4,11-14H2/t19-/m0/s1
InChIKeySXXRESMAIQOPQO-IBGZPJMESA-N
MW338.43 g/mol
LogP4.10
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 124783754) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID124783754
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESFc1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1
InChIInChI=1S/C21H23FN2O/c22-18-9-7-16(8-10-18)14-24-15-17(20-5-1-2-6-21(20)24)12-23-13-19-4-3-11-25-19/h1-2,5-10,15,19,23H,3-4,11-14H2/t19-/m0/s1
InChIKeySXXRESMAIQOPQO-IBGZPJMESA-N
XLogP4.10
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-fluorophenyl)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-[(2-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124782017
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
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 42556965
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]propan-1-amine
CID 65165632
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 124783754) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is Fc1ccc(Cn2cc(CNC[C@@H]3CCCO3)c3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is SXXRESMAIQOPQO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23FN2O/c22-18-9-7-16(8-10-18)14-24-15-17(20-5-1-2-6-21(20)24)12-23-13-19-4-3-11-25-19/h1-2,5-10,15,19,23H,3-4,11-14H2/t19-/m0/s1.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 338.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 124783754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).