2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol

C17H28N2O — CID 117443136

IUPAC2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1ccc(O)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-19(2)11-8-14-6-7-16(20)15(12-14)17(13-18)9-4-3-5-10-17/h6-7,12,20H,3-5,8-11,13,18H2,1-2H3
InChIKeyJHAQMANGBAAWOY-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol

2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol (PubChem CID 117443136) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol
PubChem CID117443136
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1ccc(O)c(C2(CN)CCCCC2)c1
InChIInChI=1S/C17H28N2O/c1-19(2)11-8-14-6-7-16(20)15(12-14)17(13-18)9-4-3-5-10-17/h6-7,12,20H,3-5,8-11,13,18H2,1-2H3
InChIKeyJHAQMANGBAAWOY-UHFFFAOYSA-N
XLogP2.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
CID 117316123
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
4-[2-(dimethylamino)ethyl]-2-(1-isocyanatocyclopentyl)phenol
CID 117438700
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
4-[2-(dimethylamino)ethyl]-2-(1-isocyanatocyclopropyl)phenol
CID 117368297
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072
3-amino-2-[5-[2-(dimethylamino)ethyl]-2-hydroxyphenyl]propanoic acid
CID 117384165

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol (CID 117443136) is 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol is CN(C)CCc1ccc(O)c(C2(CN)CCCCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol?
The InChIKey is JHAQMANGBAAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(2)11-8-14-6-7-16(20)15(12-14)17(13-18)9-4-3-5-10-17/h6-7,12,20H,3-5,8-11,13,18H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol?
2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-4-[2-(dimethylamino)ethyl]phenol is sourced from PubChem (CID 117443136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).