5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol

C17H13BrClNO — CID 83232776

IUPAC5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc(Cl)c(Br)c3)cccc12
InChIInChI=1S/C17H13BrClNO/c18-14-9-11(7-8-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-9,20-21H,10H2
InChIKeyOEXJBCRBVOLUBY-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.57
Rot. Bonds3

About 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol

5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol (PubChem CID 83232776) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol.

Molecular Properties

Compound Name5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
PubChem CID83232776
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
SMILESOc1cccc2c(NCc3ccc(Cl)c(Br)c3)cccc12
InChIInChI=1S/C17H13BrClNO/c18-14-9-11(7-8-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-9,20-21H,10H2
InChIKeyOEXJBCRBVOLUBY-UHFFFAOYSA-N
XLogP5.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
CID 63045727
2,3-dichloro-N-[(3,4-dibromophenyl)methyl]aniline
CID 113483253
[3-[(3-bromo-4-chlorophenyl)methylamino]phenyl]methanol
CID 83235833
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
5-[(4-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43743059
5-[(5-chloro-2-fluorophenyl)methylamino]naphthalen-1-ol
CID 114841970
N-[(3-bromo-4-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 83232608
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol?
The IUPAC name of 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol (CID 83232776) is 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol.
What is the SMILES notation for 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol?
The canonical SMILES for 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol is Oc1cccc2c(NCc3ccc(Cl)c(Br)c3)cccc12.
What is the InChIKey of 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol?
The InChIKey is OEXJBCRBVOLUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c18-14-9-11(7-8-15(14)19)10-20-16-5-1-4-13-12(16)3-2-6-17(13)21/h1-9,20-21H,10H2.
What are the key properties of 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol?
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol has a molecular weight of 362.65 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol is sourced from PubChem (CID 83232776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).