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

C21H19FN2O — CID 124784130

IUPACN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H19FN2O/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/h1-11,15,23H,12-14H2
InChIKeyYPBGNIXJWNBCQE-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.71
Rot. Bonds6

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

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 124784130) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID124784130
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
SMILESFc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H19FN2O/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/h1-11,15,23H,12-14H2
InChIKeyYPBGNIXJWNBCQE-UHFFFAOYSA-N
XLogP4.71
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
1-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027513
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124783754
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(2S)-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823717
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-methylacetamide
CID 41109122

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine (CID 124784130) is N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine is Fc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is YPBGNIXJWNBCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/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/h1-11,15,23H,12-14H2.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 334.39 g/mol, XLogP of 4.71, 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-(furan-2-yl)methanamine is sourced from PubChem (CID 124784130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).