5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline

C18H19BrN2O — CID 1259485

IUPAC5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
SMILESCCOc1ccc(Br)cc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19BrN2O/c1-2-22-18-8-7-14(19)11-17(18)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,20-21H,2,9-10H2,1H3
InChIKeyISUDZJQATDZQFN-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.98
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline

5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline (PubChem CID 1259485) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
PubChem CID1259485
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline
SMILESCCOc1ccc(Br)cc1NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19BrN2O/c1-2-22-18-8-7-14(19)11-17(18)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,20-21H,2,9-10H2,1H3
InChIKeyISUDZJQATDZQFN-UHFFFAOYSA-N
XLogP4.98
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[(2-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 6458900
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-3-methylpyridin-2-amine
CID 84608837
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 17055251
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
3-(5-bromo-2-ethoxyanilino)propan-1-ol
CID 84586742
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 119106557
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;hydrochloride
CID 17295573
N-[2-(1H-indol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 82453535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline?
The IUPAC name of 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline (CID 1259485) is 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline?
The canonical SMILES for 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline is CCOc1ccc(Br)cc1NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline?
The InChIKey is ISUDZJQATDZQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-2-22-18-8-7-14(19)11-17(18)20-10-9-13-12-21-16-6-4-3-5-15(13)16/h3-8,11-12,20-21H,2,9-10H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline?
5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline has a molecular weight of 359.27 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[2-(1H-indol-3-yl)ethyl]aniline is sourced from PubChem (CID 1259485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).