2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol

C16H26N2O — CID 54993281

IUPAC2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
SMILESNCc1ccc(CN(CCO)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c17-12-14-6-8-15(9-7-14)13-18(10-11-19)16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-13,17H2
InChIKeyGGXURJDPHXQMEB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds6

About 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol

2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol (PubChem CID 54993281) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
PubChem CID54993281
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
SMILESNCc1ccc(CN(CCO)C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O/c17-12-14-6-8-15(9-7-14)13-18(10-11-19)16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-13,17H2
InChIKeyGGXURJDPHXQMEB-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
2-[cyclobutyl-[(4-nitrophenyl)methyl]amino]ethanol
CID 102676847
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-cyclobutylamino]ethanol
CID 102860731
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarbothioamide
CID 54995340
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol (CID 54993281) is 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol is NCc1ccc(CN(CCO)C2CCCCC2)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol?
The InChIKey is GGXURJDPHXQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-12-14-6-8-15(9-7-14)13-18(10-11-19)16-4-2-1-3-5-16/h6-9,16,19H,1-5,10-13,17H2.
What are the key properties of 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol?
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 54993281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).