2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol

C15H23FN2O — CID 105416434

IUPAC2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCN(C)C1(CNCC(O)c2ccccc2F)CCC1
InChIInChI=1S/C15H23FN2O/c1-18(2)15(8-5-9-15)11-17-10-14(19)12-6-3-4-7-13(12)16/h3-4,6-7,14,17,19H,5,8-11H2,1-2H3
InChIKeyBHBABGRDWFVFKG-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.93
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol

2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 105416434) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID105416434
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
SMILESCN(C)C1(CNCC(O)c2ccccc2F)CCC1
InChIInChI=1S/C15H23FN2O/c1-18(2)15(8-5-9-15)11-17-10-14(19)12-6-3-4-7-13(12)16/h3-4,6-7,14,17,19H,5,8-11H2,1-2H3
InChIKeyBHBABGRDWFVFKG-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
2-[2-[ethyl(methyl)amino]ethylamino]-1-(2-fluorophenyl)ethanol
CID 62640651
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-difluorobenzamide
CID 105416225
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol (CID 105416434) is 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol is CN(C)C1(CNCC(O)c2ccccc2F)CCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is BHBABGRDWFVFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(2)15(8-5-9-15)11-17-10-14(19)12-6-3-4-7-13(12)16/h3-4,6-7,14,17,19H,5,8-11H2,1-2H3.
What are the key properties of 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol?
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 266.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 105416434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).