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

C14H19BrClNO2 — CID 106871703

IUPAC3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
SMILESCOc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1
InChIInChI=1S/C14H19BrClNO2/c1-18-11-5-3-4-10(8-11)17-13-7-9(16)6-12(15)14(13)19-2/h6-7,10-11,17H,3-5,8H2,1-2H3
InChIKeyFTIOEGRXROTWKF-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.48
Rot. Bonds4

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

3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline (PubChem CID 106871703) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
PubChem CID106871703
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline
SMILESCOc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1
InChIInChI=1S/C14H19BrClNO2/c1-18-11-5-3-4-10(8-11)17-13-7-9(16)6-12(15)14(13)19-2/h6-7,10-11,17H,3-5,8H2,1-2H3
InChIKeyFTIOEGRXROTWKF-UHFFFAOYSA-N
XLogP4.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
CID 106871709
N-(3-bromo-5-chloro-2-methoxyphenyl)cyclooctanamine
CID 43689268
3-bromo-5-chloro-N-(4-ethylcyclohexyl)-2-methoxyaniline
CID 43689269
N-(3-bromo-5-chloro-2-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65074357
N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 43690709
3-bromo-5-chloro-2-(difluoromethoxy)-N-(3-methylcyclohexyl)aniline
CID 43691052
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]cycloheptanamine
CID 43691044
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
3-bromo-5-chloro-N-(2,2-dimethylcyclopentyl)-2-methoxyaniline
CID 79860629
3-bromo-5-chloro-2-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79536377
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
CID 114837770
3-bromo-5-chloro-2-ethoxy-N-(4-ethylcyclohexyl)aniline
CID 63432002

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline (CID 106871703) is 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline is COc1c(Br)cc(Cl)cc1NC1CCCC(OC)C1.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline?
The InChIKey is FTIOEGRXROTWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-18-11-5-3-4-10(8-11)17-13-7-9(16)6-12(15)14(13)19-2/h6-7,10-11,17H,3-5,8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline?
3-bromo-5-chloro-2-methoxy-N-(3-methoxycyclohexyl)aniline has a molecular weight of 348.67 g/mol, XLogP of 4.48, 4 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-methoxy-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 106871703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).