N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline

C14H13BrClNO — CID 63505941

IUPACN-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
SMILESClc1ccc(NCCOc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrClNO/c15-13-3-1-2-4-14(13)18-10-9-17-12-7-5-11(16)6-8-12/h1-8,17H,9-10H2
InChIKeyDSBIWWFFNJYYED-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.59
Rot. Bonds5

About N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline

N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline (PubChem CID 63505941) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
PubChem CID63505941
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
SMILESClc1ccc(NCCOc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrClNO/c15-13-3-1-2-4-14(13)18-10-9-17-12-7-5-11(16)6-8-12/h1-8,17H,9-10H2
InChIKeyDSBIWWFFNJYYED-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.59
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

4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304
4-chloro-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]aniline
CID 63505392
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
4-chloro-N-[2-(2-prop-1-enylphenoxy)ethyl]aniline
CID 76997623
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
N-[2-(2-bromophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113099571
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
3-(2-bromophenoxy)propylhydrazine
CID 94688539
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
CID 69275255
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
3-chloro-4-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54797567

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline (CID 63505941) is N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline is Clc1ccc(NCCOc2ccccc2Br)cc1.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline?
The InChIKey is DSBIWWFFNJYYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-13-3-1-2-4-14(13)18-10-9-17-12-7-5-11(16)6-8-12/h1-8,17H,9-10H2.
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline?
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline has a molecular weight of 326.62 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline is sourced from PubChem (CID 63505941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).