N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine

C25H25ClN2O — CID 17207496

IUPACN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C25H25ClN2O/c1-29-25-13-7-3-8-19(25)14-15-27-16-21-18-28(24-12-6-4-10-22(21)24)17-20-9-2-5-11-23(20)26/h2-13,18,27H,14-17H2,1H3
InChIKeyILDUIBNUCQKJGB-UHFFFAOYSA-N
MW404.94 g/mol
LogP5.68
Rot. Bonds8

About N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine

N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 17207496) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID17207496
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CCNCc1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C25H25ClN2O/c1-29-25-13-7-3-8-19(25)14-15-27-16-21-18-28(24-12-6-4-10-22(21)24)17-20-9-2-5-11-23(20)26/h2-13,18,27H,14-17H2,1H3
InChIKeyILDUIBNUCQKJGB-UHFFFAOYSA-N
XLogP5.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208320
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
2-(3,4-dimethoxyphenyl)-N-[[1-[(2-methylphenyl)methyl]indol-3-yl]methyl]ethanamine
CID 124822309
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215302
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 17211440
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine (CID 17207496) is N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CCNCc1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is ILDUIBNUCQKJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c1-29-25-13-7-3-8-19(25)14-15-27-16-21-18-28(24-12-6-4-10-22(21)24)17-20-9-2-5-11-23(20)26/h2-13,18,27H,14-17H2,1H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine?
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 404.94 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 17207496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).