N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline

C16H16BrClFNO — CID 82963216

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrClFNO/c1-3-21-16-7-5-12(18)9-15(16)20-10(2)13-8-11(17)4-6-14(13)19/h4-10,20H,3H2,1-2H3
InChIKeySNITZBCOIUFCAY-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.81
Rot. Bonds5

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline

N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline (PubChem CID 82963216) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
PubChem CID82963216
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline
SMILESCCOc1ccc(Cl)cc1NC(C)c1cc(Br)ccc1F
InChIInChI=1S/C16H16BrClFNO/c1-3-21-16-7-5-12(18)9-15(16)20-10(2)13-8-11(17)4-6-14(13)19/h4-10,20H,3H2,1-2H3
InChIKeySNITZBCOIUFCAY-UHFFFAOYSA-N
XLogP5.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451342
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
5-bromo-N-[1-(2-ethoxyphenyl)ethyl]-2-fluoroaniline
CID 43555338
5-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-ethoxyaniline
CID 63451474
5-chloro-2-ethoxy-N-(3-methylpentan-2-yl)aniline
CID 63451120
N-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-2-ethoxyaniline
CID 63450944
5-chloro-2-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60935115
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698
1-(5-bromo-2-ethoxyphenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43487331
(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 43311401

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline (CID 82963216) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline is CCOc1ccc(Cl)cc1NC(C)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline?
The InChIKey is SNITZBCOIUFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-3-21-16-7-5-12(18)9-15(16)20-10(2)13-8-11(17)4-6-14(13)19/h4-10,20H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline has a molecular weight of 372.67 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-5-chloro-2-ethoxyaniline is sourced from PubChem (CID 82963216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).