2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol

C15H23FN2O — CID 64768267

IUPAC2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
SMILESNc1ccc(CN(CCO)C2CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-10-13(17)7-6-12(15)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11,17H2
InChIKeyBCNKRSJONAAAIK-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.53
Rot. Bonds5

About 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol

2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol (PubChem CID 64768267) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
PubChem CID64768267
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
SMILESNc1ccc(CN(CCO)C2CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c16-15-10-13(17)7-6-12(15)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11,17H2
InChIKeyBCNKRSJONAAAIK-UHFFFAOYSA-N
XLogP2.53
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
4-amino-2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102860411
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 54995976
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
3-fluoro-4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768070
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol (CID 64768267) is 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol is Nc1ccc(CN(CCO)C2CCCCC2)c(F)c1.
What is the InChIKey of 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The InChIKey is BCNKRSJONAAAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c16-15-10-13(17)7-6-12(15)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11,17H2.
What are the key properties of 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 64768267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).