3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline

C15H21BrClNO2 — CID 106871709

IUPAC3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1
InChIInChI=1S/C15H21BrClNO2/c1-3-20-15-13(16)7-10(17)8-14(15)18-11-5-4-6-12(9-11)19-2/h7-8,11-12,18H,3-6,9H2,1-2H3
InChIKeyJFYABHRBLXQDAN-UHFFFAOYSA-N
MW362.70 g/mol
LogP4.87
Rot. Bonds5

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

3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline (PubChem CID 106871709) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
PubChem CID106871709
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1
InChIInChI=1S/C15H21BrClNO2/c1-3-20-15-13(16)7-10(17)8-14(15)18-11-5-4-6-12(9-11)19-2/h7-8,11-12,18H,3-6,9H2,1-2H3
InChIKeyJFYABHRBLXQDAN-UHFFFAOYSA-N
XLogP4.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
CID 106871703
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
CID 63432002
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
CID 54982002
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-methoxyphenyl)cyclooctanamine
CID 43689268
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
3-bromo-5-chloro-N-(4-ethylcyclohexyl)-2-methoxyaniline
CID 43689269
3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
CID 43782643
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5,5-dimethylthian-3-amine
CID 79955714
3-bromo-5-chloro-2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43691052

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline (CID 106871709) is 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline is CCOc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1.
What is the InChIKey of 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline?
The InChIKey is JFYABHRBLXQDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-3-20-15-13(16)7-10(17)8-14(15)18-11-5-4-6-12(9-11)19-2/h7-8,11-12,18H,3-6,9H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline?
3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline has a molecular weight of 362.70 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 106871709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).