2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol

C14H19F2NO2 — CID 106172901

IUPAC2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
SMILESCOc1ccc(C2CC(NCC(F)(F)CO)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-19-13-4-2-10(3-5-13)11-6-12(7-11)17-8-14(15,16)9-18/h2-5,11-12,17-18H,6-9H2,1H3
InChIKeyYYPWZPUFOBABGU-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.16
Rot. Bonds6

About 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol

2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol (PubChem CID 106172901) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
PubChem CID106172901
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol
SMILESCOc1ccc(C2CC(NCC(F)(F)CO)C2)cc1
InChIInChI=1S/C14H19F2NO2/c1-19-13-4-2-10(3-5-13)11-6-12(7-11)17-8-14(15,16)9-18/h2-5,11-12,17-18H,6-9H2,1H3
InChIKeyYYPWZPUFOBABGU-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropane-1,2-diol
CID 66170006
N'-[3-(4-methoxyphenyl)cyclobutyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43633039
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
N'-[3-(4-methoxyphenyl)cyclobutyl]propane-1,3-diamine
CID 60887983
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435
3-(4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutan-1-amine
CID 114465904
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol (CID 106172901) is 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol is COc1ccc(C2CC(NCC(F)(F)CO)C2)cc1.
What is the InChIKey of 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol?
The InChIKey is YYPWZPUFOBABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-19-13-4-2-10(3-5-13)11-6-12(7-11)17-8-14(15,16)9-18/h2-5,11-12,17-18H,6-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol?
2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-1-ol is sourced from PubChem (CID 106172901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).