2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline

C14H12BrClFNO — CID 107611223

IUPAC2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
SMILESFc1cc(Cl)c(NCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-12-8-10(17)9-13(16)14(12)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2
InChIKeyAJZWMVMQPLZAHA-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.73
Rot. Bonds5

About 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline

2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline (PubChem CID 107611223) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
PubChem CID107611223
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
SMILESFc1cc(Cl)c(NCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-12-8-10(17)9-13(16)14(12)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2
InChIKeyAJZWMVMQPLZAHA-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,6-difluoro-N-(3-phenoxypropyl)aniline
CID 83088365
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
2-chloro-4,6-difluoro-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 83073516
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
2-bromo-6-chloro-N-(2,2-difluoro-2-phenylethyl)-4-fluoroaniline
CID 107611463
2,6-dichloro-4-nitro-N-(2-phenoxyethyl)aniline
CID 106891512
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
2-bromo-6-chloro-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107610536
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline (CID 107611223) is 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline is Fc1cc(Cl)c(NCCOc2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
The InChIKey is AJZWMVMQPLZAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-12-8-10(17)9-13(16)14(12)18-6-7-19-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7H2.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline?
2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline has a molecular weight of 344.61 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 107611223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).