N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine

C22H25Cl2N3O — CID 124895932

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
SMILESClc1cccc(Cl)c1Cn1cc(CNCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c23-20-5-3-6-21(24)19(20)16-27-15-17(18-4-1-2-7-22(18)27)14-25-8-9-26-10-12-28-13-11-26/h1-7,15,25H,8-14,16H2
InChIKeyWERGUVLFZZUEQW-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.42
Rot. Bonds7

About N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 124895932) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
PubChem CID124895932
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine
SMILESClc1cccc(Cl)c1Cn1cc(CNCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H25Cl2N3O/c23-20-5-3-6-21(24)19(20)16-27-15-17(18-4-1-2-7-22(18)27)14-25-8-9-26-10-12-28-13-11-26/h1-7,15,25H,8-14,16H2
InChIKeyWERGUVLFZZUEQW-UHFFFAOYSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 124783457
(2S)-1-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826737
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 124820056
N-[[1-[(2-chloro-6-fluorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 124805104
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
N,N-dimethyl-3-[3-[(2-pyrrolidin-1-ylethylamino)methyl]indol-1-yl]propan-1-amine
CID 71546964
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 83169171
(2R)-N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-4-phenylbutan-2-amine
CID 124823338

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine (CID 124895932) is N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine is Clc1cccc(Cl)c1Cn1cc(CNCCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is WERGUVLFZZUEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c23-20-5-3-6-21(24)19(20)16-27-15-17(18-4-1-2-7-22(18)27)14-25-8-9-26-10-12-28-13-11-26/h1-7,15,25H,8-14,16H2.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine?
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 418.37 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 124895932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).