N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline

C14H12BrCl2NO — CID 55196746

IUPACN-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrCl2NO/c15-10-2-1-3-14(6-10)19-5-4-18-13-8-11(16)7-12(17)9-13/h1-3,6-9,18H,4-5H2
InChIKeyBRFUHIUZKZIFEY-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.25
Rot. Bonds5

About N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline

N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline (PubChem CID 55196746) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
PubChem CID55196746
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCCOc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrCl2NO/c15-10-2-1-3-14(6-10)19-5-4-18-13-8-11(16)7-12(17)9-13/h1-3,6-9,18H,4-5H2
InChIKeyBRFUHIUZKZIFEY-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.25
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-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
4-bromo-N-[2-(3-bromophenoxy)ethyl]-3-methylaniline
CID 63488959
N-[2-(4-bromophenoxy)ethyl]-3-chloro-5-fluoroaniline
CID 107365021
N-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-chloroaniline
CID 81325478
N-[2-(3-bromophenoxy)ethyl]-4-propylaniline
CID 63489752
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)aniline
CID 65024389
3-bromo-N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]aniline
CID 63504584
N-[2-(3-bromophenoxy)ethyl]-4-fluoro-2-iodoaniline
CID 79769430
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfonyl)aniline
CID 133298261
N-[2-(3-bromophenoxy)ethyl]pyrrol-1-amine
CID 79101261
3-chloro-N-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62597196
N-[2-(3-bromophenoxy)ethyl]-2-methylsulfanylaniline
CID 107644523

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline (CID 55196746) is N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline is Clc1cc(Cl)cc(NCCOc2cccc(Br)c2)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline?
The InChIKey is BRFUHIUZKZIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-10-2-1-3-14(6-10)19-5-4-18-13-8-11(16)7-12(17)9-13/h1-3,6-9,18H,4-5H2.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline?
N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline has a molecular weight of 361.07 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-3,5-dichloroaniline is sourced from PubChem (CID 55196746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).