N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine

C18H18Cl2N2O — CID 11792052

IUPACN-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine
SMILESCN(CCOc1ccc(Cl)c2[nH]cc(Cl)c12)Cc1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c1-22(12-13-5-3-2-4-6-13)9-10-23-16-8-7-14(19)18-17(16)15(20)11-21-18/h2-8,11,21H,9-10,12H2,1H3
InChIKeyMXEZOWYUDJLXGR-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.99
Rot. Bonds6

About N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine

N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine (PubChem CID 11792052) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine
PubChem CID11792052
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC NameN-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine
SMILESCN(CCOc1ccc(Cl)c2[nH]cc(Cl)c12)Cc1ccccc1
InChIInChI=1S/C18H18Cl2N2O/c1-22(12-13-5-3-2-4-6-13)9-10-23-16-8-7-14(19)18-17(16)15(20)11-21-18/h2-8,11,21H,9-10,12H2,1H3
InChIKeyMXEZOWYUDJLXGR-UHFFFAOYSA-N
XLogP4.99
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(phenylmethoxy)-1H-indole
CID 88465
Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216
[2-(1H-Indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9861435
[2-(3-Chloro-1H-indol-4-yloxy)-ethyl]-(4-phenyl-butyl)-amine
CID 9884480
4-{2-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-ethoxy}-1H-indole
CID 10295207
4-{3-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-propoxy}-1H-indole
CID 10296101
O-Benzyl Psilocin
CID 13566983
N-(3-(1H-indol-4-yloxy)propyl)cyclohexanamine
CID 44433247
1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydro-1-pyridinyl]ethyl ether
CID 9975609
(S)-1-[3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-3-(1H-indol-4-yloxy)-propan-2-ol
CID 11464917
(4-Chloro-benzyl)-[2-(3,7-dichloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9799480
Benzyl-[2-(7-chloro-1H-indol-4-yloxy)-ethyl]-amine
CID 9839319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine?
The IUPAC name of N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine (CID 11792052) is N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine?
The canonical SMILES for N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine is CN(CCOc1ccc(Cl)c2[nH]cc(Cl)c12)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine?
The InChIKey is MXEZOWYUDJLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-22(12-13-5-3-2-4-6-13)9-10-23-16-8-7-14(19)18-17(16)15(20)11-21-18/h2-8,11,21H,9-10,12H2,1H3.
What are the key properties of N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine?
N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine has a molecular weight of 349.26 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3,7-dichloro-1H-indol-4-yl)oxy]-N-methylethanamine is sourced from PubChem (CID 11792052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).