2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol

C16H24F2N2O — CID 102870901

IUPAC2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-19-16(12-9-13(17)11-14(18)10-12)5-6-20(7-8-21)15-3-2-4-15/h9-11,15-16,19,21H,2-8H2,1H3
InChIKeyHNOJVJFYROBANN-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.46
Rot. Bonds8

About 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol

2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol (PubChem CID 102870901) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
PubChem CID102870901
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
SMILESCNC(CCN(CCO)C1CCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-19-16(12-9-13(17)11-14(18)10-12)5-6-20(7-8-21)15-3-2-4-15/h9-11,15-16,19,21H,2-8H2,1H3
InChIKeyHNOJVJFYROBANN-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
CID 102871167
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
2-[2,2-difluoroethyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 107486499
2-[cyclopentyl-[3-(methylamino)-3-(2-methylphenyl)propyl]amino]ethanol
CID 62631147
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
1-(3,5-difluorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79086657
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521860
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
CID 102870932

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol (CID 102870901) is 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol is CNC(CCN(CCO)C1CCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
The InChIKey is HNOJVJFYROBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-19-16(12-9-13(17)11-14(18)10-12)5-6-20(7-8-21)15-3-2-4-15/h9-11,15-16,19,21H,2-8H2,1H3.
What are the key properties of 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol?
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol has a molecular weight of 298.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol is sourced from PubChem (CID 102870901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).