3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline

C16H23BrClNO — CID 43782643

IUPAC3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NC(C)C1CCCCC1
InChIInChI=1S/C16H23BrClNO/c1-3-20-16-14(17)9-13(18)10-15(16)19-11(2)12-7-5-4-6-8-12/h9-12,19H,3-8H2,1-2H3
InChIKeyAJDFOYSLQBZRTP-UHFFFAOYSA-N
MW360.72 g/mol
LogP5.88
Rot. Bonds5

About 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline

3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline (PubChem CID 43782643) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
PubChem CID43782643
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC Name3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NC(C)C1CCCCC1
InChIInChI=1S/C16H23BrClNO/c1-3-20-16-14(17)9-13(18)10-15(16)19-11(2)12-7-5-4-6-8-12/h9-12,19H,3-8H2,1-2H3
InChIKeyAJDFOYSLQBZRTP-UHFFFAOYSA-N
XLogP5.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.72
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
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3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
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3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
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N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
CID 79724544
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
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CID 102613332
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
1-[4-(3-bromo-5-chloro-2-ethoxyanilino)piperidin-1-yl]ethanone
CID 43782635
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5,5-dimethylthian-3-amine
CID 79955714
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CID 43691044

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline (CID 43782643) is 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline is CCOc1c(Br)cc(Cl)cc1NC(C)C1CCCCC1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline?
The InChIKey is AJDFOYSLQBZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-3-20-16-14(17)9-13(18)10-15(16)19-11(2)12-7-5-4-6-8-12/h9-12,19H,3-8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline?
3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline has a molecular weight of 360.72 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline is sourced from PubChem (CID 43782643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).