2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline

C19H15BrFNO — CID 156877235

IUPAC2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
SMILESFc1ccc(Nc2ccc(OCc3ccccc3)cc2Br)cc1
InChIInChI=1S/C19H15BrFNO/c20-18-12-17(23-13-14-4-2-1-3-5-14)10-11-19(18)22-16-8-6-15(21)7-9-16/h1-12,22H,13H2
InChIKeyLQDGRMRSNPSPCH-UHFFFAOYSA-N
MW372.24 g/mol
LogP5.91
Rot. Bonds5

About 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline

2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline (PubChem CID 156877235) has the molecular formula C19H15BrFNO and a molecular weight of 372.24 g/mol. Its IUPAC name is 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
PubChem CID156877235
Molecular FormulaC19H15BrFNO
Molecular Weight372.24 g/mol
Exact Mass371.03
IUPAC Name2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline
SMILESFc1ccc(Nc2ccc(OCc3ccccc3)cc2Br)cc1
InChIInChI=1S/C19H15BrFNO/c20-18-12-17(23-13-14-4-2-1-3-5-14)10-11-19(18)22-16-8-6-15(21)7-9-16/h1-12,22H,13H2
InChIKeyLQDGRMRSNPSPCH-UHFFFAOYSA-N
XLogP5.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.24
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2-bromo-4-fluoro-N-phenylaniline
CID 121009691
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
1-(2,4-difluorophenyl)-3-(4-phenylmethoxyphenyl)thiourea
CID 19648747
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?
The IUPAC name of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline (CID 156877235) is 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline.
What is the SMILES notation for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?
The canonical SMILES for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline is Fc1ccc(Nc2ccc(OCc3ccccc3)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?
The InChIKey is LQDGRMRSNPSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFNO/c20-18-12-17(23-13-14-4-2-1-3-5-14)10-11-19(18)22-16-8-6-15(21)7-9-16/h1-12,22H,13H2.
What are the key properties of 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline?
2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline has a molecular weight of 372.24 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-fluorophenyl)-4-phenylmethoxyaniline is sourced from PubChem (CID 156877235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).