5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol

C14H21F2NO2 — CID 65234748

IUPAC5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
SMILESCNC(C)(CCO)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-14(17-2,9-10-18)8-7-11-3-5-12(6-4-11)19-13(15)16/h3-6,13,17-18H,7-10H2,1-2H3
InChIKeyBTJTXJCCMPEGPJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.58
Rot. Bonds8

About 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol

5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol (PubChem CID 65234748) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
PubChem CID65234748
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
SMILESCNC(C)(CCO)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H21F2NO2/c1-14(17-2,9-10-18)8-7-11-3-5-12(6-4-11)19-13(15)16/h3-6,13,17-18H,7-10H2,1-2H3
InChIKeyBTJTXJCCMPEGPJ-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
CID 61055180
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanenitrile
CID 43114983
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
ethyl 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(methylamino)butanoate
CID 60786071
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
CID 62072234
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol (CID 65234748) is 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol is CNC(C)(CCO)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol?
The InChIKey is BTJTXJCCMPEGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-14(17-2,9-10-18)8-7-11-3-5-12(6-4-11)19-13(15)16/h3-6,13,17-18H,7-10H2,1-2H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol?
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol has a molecular weight of 273.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol is sourced from PubChem (CID 65234748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).