4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline

C17H14BrNO2 — CID 63675945

IUPAC4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
SMILESCOc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1N
InChIInChI=1S/C17H14BrNO2/c1-20-17-10-15(6-7-16(17)19)21-14-5-3-11-8-13(18)4-2-12(11)9-14/h2-10H,19H2,1H3
InChIKeyFARGJOJNXWCRKK-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.99
Rot. Bonds3

About 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline

4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline (PubChem CID 63675945) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
PubChem CID63675945
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
SMILESCOc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1N
InChIInChI=1S/C17H14BrNO2/c1-20-17-10-15(6-7-16(17)19)21-14-5-3-11-8-13(18)4-2-12(11)9-14/h2-10H,19H2,1H3
InChIKeyFARGJOJNXWCRKK-UHFFFAOYSA-N
XLogP4.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
4-(4-tert-butylphenoxy)-2-methoxyaniline
CID 63675564
4-[4-[[4-(4-amino-3-methoxyphenoxy)phenyl]methyl]phenoxy]-2-methoxyaniline
CID 139713014
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
4-(4-ethylphenoxy)-2-methoxyaniline
CID 63678406
4-[4-[1,1-bis[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 66649899
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline (CID 63675945) is 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline is COc1cc(Oc2ccc3cc(Br)ccc3c2)ccc1N.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline?
The InChIKey is FARGJOJNXWCRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-20-17-10-15(6-7-16(17)19)21-14-5-3-11-8-13(18)4-2-12(11)9-14/h2-10H,19H2,1H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline?
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline has a molecular weight of 344.21 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline is sourced from PubChem (CID 63675945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).