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

C24H24N2O — CID 124818287

IUPACN-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H24N2O/c1-27-24-14-8-5-11-20(24)15-25-16-21-18-26(17-19-9-3-2-4-10-19)23-13-7-6-12-22(21)23/h2-14,18,25H,15-17H2,1H3
InChIKeyKPRASLVUAOICMT-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.99
Rot. Bonds7

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

N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 124818287) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID124818287
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H24N2O/c1-27-24-14-8-5-11-20(24)15-25-16-21-18-26(17-19-9-3-2-4-10-19)23-13-7-6-12-22(21)23/h2-14,18,25H,15-17H2,1H3
InChIKeyKPRASLVUAOICMT-UHFFFAOYSA-N
XLogP4.99
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207496
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-phenylmethanamine
CID 124895180
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-3-methoxypropan-1-amine
CID 124788822
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345
2-[3-[(1-benzylindol-3-yl)methylamino]propylamino]ethanol
CID 124786070
3-benzyl-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 53474780

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine (CID 124818287) is N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is KPRASLVUAOICMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-27-24-14-8-5-11-20(24)15-25-16-21-18-26(17-19-9-3-2-4-10-19)23-13-7-6-12-22(21)23/h2-14,18,25H,15-17H2,1H3.
What are the key properties of N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine?
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 356.47 g/mol, XLogP of 4.99, 7 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-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 124818287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).