2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol

C15H21F2NO2 — CID 111114250

IUPAC2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
SMILESCN(CC1CCC1)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO2/c1-18(9-11-3-2-4-11)10-14(19)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,19H,2-4,9-10H2,1H3
InChIKeyLNOXYJMNGFLNRM-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.05
Rot. Bonds7

About 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol

2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol (PubChem CID 111114250) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
PubChem CID111114250
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol
SMILESCN(CC1CCC1)CC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H21F2NO2/c1-18(9-11-3-2-4-11)10-14(19)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,19H,2-4,9-10H2,1H3
InChIKeyLNOXYJMNGFLNRM-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851
2-cyclohexyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65145450
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
2-[cyclohexylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63471920
1-[4-(difluoromethoxy)phenyl]-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 110901978
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol (CID 111114250) is 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol is CN(CC1CCC1)CC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol?
The InChIKey is LNOXYJMNGFLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-18(9-11-3-2-4-11)10-14(19)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15,19H,2-4,9-10H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol?
2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol has a molecular weight of 285.33 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-1-[4-(difluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 111114250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).