2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol

C14H20BrNO — CID 117480430

IUPAC2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(15)12(13(10)17)14(9-16)7-3-2-4-8-14/h5-6,17H,2-4,7-9,16H2,1H3
InChIKeyLTVMZWCMQSYCBD-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.62
Rot. Bonds2

About 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol

2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol (PubChem CID 117480430) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
PubChem CID117480430
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(C2(CN)CCCCC2)c1O
InChIInChI=1S/C14H20BrNO/c1-10-5-6-11(15)12(13(10)17)14(9-16)7-3-2-4-8-14/h5-6,17H,2-4,7-9,16H2,1H3
InChIKeyLTVMZWCMQSYCBD-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
CID 117497403
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
3-[1-(aminomethyl)cyclopropyl]-4-bromo-2,6-dimethylphenol
CID 117428377
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol (CID 117480430) is 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol is Cc1ccc(Br)c(C2(CN)CCCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol?
The InChIKey is LTVMZWCMQSYCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-5-6-11(15)12(13(10)17)14(9-16)7-3-2-4-8-14/h5-6,17H,2-4,7-9,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol?
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol has a molecular weight of 298.22 g/mol, XLogP of 3.62, 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]-3-bromo-6-methylphenol is sourced from PubChem (CID 117480430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).