N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine

C24H22Cl2N2O — CID 124820056

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H22Cl2N2O/c1-29-24-12-5-2-7-17(24)13-27-14-18-15-28(23-11-4-3-8-19(18)23)16-20-21(25)9-6-10-22(20)26/h2-12,15,27H,13-14,16H2,1H3
InChIKeySVODHZZRODUJRS-UHFFFAOYSA-N
MW425.36 g/mol
LogP6.29
Rot. Bonds7

About N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 124820056) has the molecular formula C24H22Cl2N2O and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID124820056
Molecular FormulaC24H22Cl2N2O
Molecular Weight425.36 g/mol
Exact Mass424.11
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C24H22Cl2N2O/c1-29-24-12-5-2-7-17(24)13-27-14-18-15-28(23-11-4-3-8-19(18)23)16-20-21(25)9-6-10-22(20)26/h2-12,15,27H,13-14,16H2,1H3
InChIKeySVODHZZRODUJRS-UHFFFAOYSA-N
XLogP6.29
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.36
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine with MolForge

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Related Compounds

N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
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-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 124825077
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
CID 124895932
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine (CID 124820056) is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is SVODHZZRODUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O/c1-29-24-12-5-2-7-17(24)13-27-14-18-15-28(23-11-4-3-8-19(18)23)16-20-21(25)9-6-10-22(20)26/h2-12,15,27H,13-14,16H2,1H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine?
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 425.36 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 124820056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).