4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline

C14H12BrF2NO — CID 63515607

IUPAC4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
SMILESFc1cc(F)cc(OCCNc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2
InChIKeyQHRZSFHVQFHQJQ-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.22
Rot. Bonds5

About 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline

4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline (PubChem CID 63515607) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
PubChem CID63515607
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline
SMILESFc1cc(F)cc(OCCNc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrF2NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2
InChIKeyQHRZSFHVQFHQJQ-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.22
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

N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
N-[2-(4-bromophenoxy)ethyl]-3-fluoroaniline
CID 60678805
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
CID 81325478
4-bromo-N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]aniline
CID 64601611
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
4-bromo-N-[2-[3-(methoxymethyl)phenoxy]ethyl]aniline
CID 63984837
3-[2-(4-bromoanilino)ethoxy]benzoic acid
CID 103234418
5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
CID 63488371
4-bromo-N-(2-quinolin-7-yloxyethyl)aniline
CID 107315214
4-bromo-N-[2-(4-butylphenoxy)ethyl]aniline
CID 115493403
4-[2-(4-bromoanilino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77026728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline?
The IUPAC name of 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline (CID 63515607) is 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline is Fc1cc(F)cc(OCCNc2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline?
The InChIKey is QHRZSFHVQFHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-1-3-13(4-2-10)18-5-6-19-14-8-11(16)7-12(17)9-14/h1-4,7-9,18H,5-6H2.
What are the key properties of 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline?
4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline has a molecular weight of 328.16 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(3,5-difluorophenoxy)ethyl]aniline is sourced from PubChem (CID 63515607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).