N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine

C22H20FN3 — CID 124783741

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFc1ccc(Cn2cc(CNCc3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C22H20FN3/c23-20-9-7-17(8-10-20)15-26-16-19(21-5-1-2-6-22(21)26)14-25-13-18-4-3-11-24-12-18/h1-12,16,25H,13-15H2
InChIKeySSWBBCFNVIHXEA-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.51
Rot. Bonds6

About N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 124783741) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID124783741
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFc1ccc(Cn2cc(CNCc3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C22H20FN3/c23-20-9-7-17(8-10-20)15-26-16-19(21-5-1-2-6-22(21)26)14-25-13-18-4-3-11-24-12-18/h1-12,16,25H,13-15H2
InChIKeySSWBBCFNVIHXEA-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(pyridin-3-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535946
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
(3S)-3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 93110467

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine (CID 124783741) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine is Fc1ccc(Cn2cc(CNCc3cccnc3)c3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is SSWBBCFNVIHXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3/c23-20-9-7-17(8-10-20)15-26-16-19(21-5-1-2-6-22(21)26)14-25-13-18-4-3-11-24-12-18/h1-12,16,25H,13-15H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 345.42 g/mol, XLogP of 4.51, 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-pyridin-3-ylmethanamine is sourced from PubChem (CID 124783741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).