2-[1-(aminomethyl)cyclohexyl]-4-methylphenol

C14H21NO — CID 82615959

IUPAC2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
SMILESCc1ccc(O)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-6-13(16)12(9-11)14(10-15)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyQDELBZMLNVBZRW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds2

About 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol

2-[1-(aminomethyl)cyclohexyl]-4-methylphenol (PubChem CID 82615959) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
PubChem CID82615959
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
SMILESCc1ccc(O)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-5-6-13(16)12(9-11)14(10-15)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3
InChIKeyQDELBZMLNVBZRW-UHFFFAOYSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
[1-(2-ethoxy-5-methylphenyl)cyclohexyl]methanamine
CID 117371857
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol
CID 117443136
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol (CID 82615959) is 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol is Cc1ccc(O)c(C2(CN)CCCCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol?
The InChIKey is QDELBZMLNVBZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-6-13(16)12(9-11)14(10-15)7-3-2-4-8-14/h5-6,9,16H,2-4,7-8,10,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-4-methylphenol?
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.86, 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]-4-methylphenol is sourced from PubChem (CID 82615959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).