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

C15H21ClFNO — CID 114858042

IUPAC2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H21ClFNO/c16-13-7-6-12(15(17)10-13)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11H2
InChIKeyVZDDNHOPZPFFPK-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.61
Rot. Bonds5

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

2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol (PubChem CID 114858042) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
PubChem CID114858042
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
SMILESOCCN(Cc1ccc(Cl)cc1F)C1CCCCC1
InChIInChI=1S/C15H21ClFNO/c16-13-7-6-12(15(17)10-13)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11H2
InChIKeyVZDDNHOPZPFFPK-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
2-[(4-chloro-2-nitrophenyl)methyl-cyclobutylamino]ethanol
CID 102677159
2-[(5-chloro-2-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 79580074
N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
3-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 114849123
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354
2-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]acetic acid
CID 114850884
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
3-[[4-(aminomethyl)-2-fluorophenyl]methyl-cyclobutylamino]propan-1-ol
CID 102860629
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol (CID 114858042) is 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol is OCCN(Cc1ccc(Cl)cc1F)C1CCCCC1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
The InChIKey is VZDDNHOPZPFFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c16-13-7-6-12(15(17)10-13)11-18(8-9-19)14-4-2-1-3-5-14/h6-7,10,14,19H,1-5,8-9,11H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol?
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol has a molecular weight of 285.79 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol is sourced from PubChem (CID 114858042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).