2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol

C15H22BrNO — CID 117497403

IUPAC2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
SMILESCc1cc(C)c(C2(CN)CCCCC2)c(O)c1Br
InChIInChI=1S/C15H22BrNO/c1-10-8-11(2)13(16)14(18)12(10)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3
InChIKeyHUHDHJZMUKTWKC-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.93
Rot. Bonds2

About 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol

2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol (PubChem CID 117497403) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
PubChem CID117497403
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
SMILESCc1cc(C)c(C2(CN)CCCCC2)c(O)c1Br
InChIInChI=1S/C15H22BrNO/c1-10-8-11(2)13(16)14(18)12(10)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3
InChIKeyHUHDHJZMUKTWKC-UHFFFAOYSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117499969
3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
CID 117428377
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
3-[1-(aminomethyl)cyclohexyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117436631
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
2-[1-(aminomethyl)cyclopropyl]-4-bromo-3,5,6-trimethylphenol
CID 117112194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol (CID 117497403) is 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol is Cc1cc(C)c(C2(CN)CCCCC2)c(O)c1Br.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol?
The InChIKey is HUHDHJZMUKTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-8-11(2)13(16)14(18)12(10)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol?
2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol has a molecular weight of 312.25 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol is sourced from PubChem (CID 117497403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).