2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline

C17H13BrFNO — CID 43443869

IUPAC2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H13BrFNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9H,10,20H2
InChIKeyOJTWYPIONCTMKT-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.90
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline

2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline (PubChem CID 43443869) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline
PubChem CID43443869
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline
SMILESNc1ccc(F)cc1COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H13BrFNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9H,10,20H2
InChIKeyOJTWYPIONCTMKT-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.90
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

3-Fluoro-4-(2-naphthyloxy)aniline
CID 13237152
4-(2-Naphthyloxy)-2-(trifluoromethyl)aniline
CID 26189981
6-Bromo-2-methoxynaphthalen-1-amine
CID 54370275
2-(4-Bromo-2-fluoro-5-propan-2-yloxyphenyl)aniline
CID 67925819
4-(1-Bromonaphthalen-2-yl)oxy-2-(trifluoromethyl)aniline
CID 151770008
3-(Benzyloxy)-6-bromo-1-fluoronaphthalen-2-amine
CID 155103708
6-Bromo-1,4-difluoro-2-phenylmethoxy-3-(sulfamoylamino)naphthalene
CID 156294517
7-Bromo-1-fluoro-3,6-bis(phenylmethoxy)naphthalen-2-amine
CID 156506584
3-(Benzyloxy)-7-bromo-1-fluoronaphthalen-2-amine
CID 156507763
7-Bromo-2-(difluoromethoxy)naphthalen-1-amine
CID 162527337
7-Bromo-2-(2,2,2-trifluoroethoxy)naphthalen-1-amine
CID 162527745
4-(6-Bromo-naphthalen-2-yloxymethyl)-phenylamine
CID 28605443

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline (CID 43443869) is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline is Nc1ccc(F)cc1COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline?
The InChIKey is OJTWYPIONCTMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-14-3-1-12-9-16(5-2-11(12)7-14)21-10-13-8-15(19)4-6-17(13)20/h1-9H,10,20H2.
What are the key properties of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline?
2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline has a molecular weight of 346.20 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-4-fluoroaniline is sourced from PubChem (CID 43443869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).