3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline

C17H14BrNO — CID 115980929

IUPAC3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
SMILESCc1cc(N)cc(Oc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H14BrNO/c1-11-6-15(19)10-17(7-11)20-16-5-3-12-8-14(18)4-2-13(12)9-16/h2-10H,19H2,1H3
InChIKeyNMRBPRMSOPZEFO-UHFFFAOYSA-N
MW328.21 g/mol
LogP5.29
Rot. Bonds2

About 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline

3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline (PubChem CID 115980929) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
PubChem CID115980929
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
SMILESCc1cc(N)cc(Oc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C17H14BrNO/c1-11-6-15(19)10-17(7-11)20-16-5-3-12-8-14(18)4-2-13(12)9-16/h2-10H,19H2,1H3
InChIKeyNMRBPRMSOPZEFO-UHFFFAOYSA-N
XLogP5.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.21
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)aniline
CID 112648458
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
3-[[4-(3-amino-5-methylphenoxy)-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]oxy]-5-methylaniline
CID 175964446
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline (CID 115980929) is 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline is Cc1cc(N)cc(Oc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline?
The InChIKey is NMRBPRMSOPZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-11-6-15(19)10-17(7-11)20-16-5-3-12-8-14(18)4-2-13(12)9-16/h2-10H,19H2,1H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline?
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline has a molecular weight of 328.21 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline is sourced from PubChem (CID 115980929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).