5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline

C15H22BrNO — CID 64744839

IUPAC5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-6-13(8-11(10)2)17-14-9-12(16)5-7-15(14)18-3/h5,7,9-11,13,17H,4,6,8H2,1-3H3
InChIKeyRAPHBZATQMVJFB-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.69
Rot. Bonds3

About 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline

5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline (PubChem CID 64744839) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
PubChem CID64744839
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NC1CCC(C)C(C)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-6-13(8-11(10)2)17-14-9-12(16)5-7-15(14)18-3/h5,7,9-11,13,17H,4,6,8H2,1-3H3
InChIKeyRAPHBZATQMVJFB-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
CID 79949843
3-[(3,4-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64746815
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
CID 63455703
N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115904126
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
CID 65073536
5-bromo-2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758489
N-(5-bromo-2-methoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 54968199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline?
The IUPAC name of 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline (CID 64744839) is 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline is COc1ccc(Br)cc1NC1CCC(C)C(C)C1.
What is the InChIKey of 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline?
The InChIKey is RAPHBZATQMVJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-4-6-13(8-11(10)2)17-14-9-12(16)5-7-15(14)18-3/h5,7,9-11,13,17H,4,6,8H2,1-3H3.
What are the key properties of 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline?
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline has a molecular weight of 312.25 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline is sourced from PubChem (CID 64744839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).