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

C21H20N2O — CID 124818061

IUPACN-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H20N2O/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/h1-12,16,22H,13-15H2
InChIKeyWHVGMLGZNFHHCD-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.57
Rot. Bonds6

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

N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 124818061) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID124818061
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
SMILESc1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H20N2O/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/h1-12,16,22H,13-15H2
InChIKeyWHVGMLGZNFHHCD-UHFFFAOYSA-N
XLogP4.57
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-(furan-2-yl)methanamine
CID 124784130
1-(furan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 94074131
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
N-[(1-benzylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 27210541
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine (CID 124818061) is N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine is c1ccc(Cn2cc(CNCc3ccco3)c3ccccc32)cc1.
What is the InChIKey of N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is WHVGMLGZNFHHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/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/h1-12,16,22H,13-15H2.
What are the key properties of N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine?
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 316.40 g/mol, XLogP of 4.57, 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-(furan-2-yl)methanamine is sourced from PubChem (CID 124818061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).