5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline

C16H15BrN2O — CID 102910483

IUPAC5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-20-16-5-3-13(17)9-15(16)19-10-11-2-4-14-12(8-11)6-7-18-14/h2-9,18-19H,10H2,1H3
InChIKeyJRXWJPGZGZPWHN-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.55
Rot. Bonds4

About 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline

5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline (PubChem CID 102910483) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
PubChem CID102910483
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H15BrN2O/c1-20-16-5-3-13(17)9-15(16)19-10-11-2-4-14-12(8-11)6-7-18-14/h2-9,18-19H,10H2,1H3
InChIKeyJRXWJPGZGZPWHN-UHFFFAOYSA-N
XLogP4.55
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxyaniline;hydrochloride
CID 17221805
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
CID 61060250
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956
5-bromo-2,4-difluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102912272
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline?
The IUPAC name of 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline (CID 102910483) is 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline is COc1ccc(Br)cc1NCc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline?
The InChIKey is JRXWJPGZGZPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-20-16-5-3-13(17)9-15(16)19-10-11-2-4-14-12(8-11)6-7-18-14/h2-9,18-19H,10H2,1H3.
What are the key properties of 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline?
5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline has a molecular weight of 331.21 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline is sourced from PubChem (CID 102910483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).