3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline

C16H23BrClNO — CID 63432002

IUPAC3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCC(CC)CC1
InChIInChI=1S/C16H23BrClNO/c1-3-11-5-7-13(8-6-11)19-15-10-12(18)9-14(17)16(15)20-4-2/h9-11,13,19H,3-8H2,1-2H3
InChIKeyMROPRCXLLOCEAI-UHFFFAOYSA-N
MW360.72 g/mol
LogP5.88
Rot. Bonds5

About 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline

3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline (PubChem CID 63432002) has the molecular formula C16H23BrClNO and a molecular weight of 360.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
PubChem CID63432002
Molecular FormulaC16H23BrClNO
Molecular Weight360.72 g/mol
Exact Mass359.07
IUPAC Name3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCC(CC)CC1
InChIInChI=1S/C16H23BrClNO/c1-3-11-5-7-13(8-6-11)19-15-10-12(18)9-14(17)16(15)20-4-2/h9-11,13,19H,3-8H2,1-2H3
InChIKeyMROPRCXLLOCEAI-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

3-bromo-5-chloro-N-(4-ethylcyclohexyl)-2-methoxyaniline
CID 43689269
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
CID 54982002
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
CID 106871709
N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
CID 79724544
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
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43690803
3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
CID 43782643
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cycloheptanamine
CID 43691044

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline (CID 63432002) is 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline is CCOc1c(Br)cc(Cl)cc1NC1CCC(CC)CC1.
What is the InChIKey of 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline?
The InChIKey is MROPRCXLLOCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO/c1-3-11-5-7-13(8-6-11)19-15-10-12(18)9-14(17)16(15)20-4-2/h9-11,13,19H,3-8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline?
3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline 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-2-ethoxy-N-(4-ethylcyclohexyl)aniline is sourced from PubChem (CID 63432002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).