4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol

C15H23F2NO2 — CID 61055180

IUPAC4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H23F2NO2/c1-3-10-18-15(2,11-19)9-8-12-4-6-13(7-5-12)20-14(16)17/h4-7,14,18-19H,3,8-11H2,1-2H3
InChIKeyUTFKQPDXHJGUJC-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.97
Rot. Bonds9

About 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol

4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 61055180) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
PubChem CID61055180
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H23F2NO2/c1-3-10-18-15(2,11-19)9-8-12-4-6-13(7-5-12)20-14(16)17/h4-7,14,18-19H,3,8-11H2,1-2H3
InChIKeyUTFKQPDXHJGUJC-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-2-(propylamino)butan-1-ol
CID 61056815
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
4-[4-(difluoromethoxy)phenyl]-2-N-(2-methoxyethyl)-2-methylbutane-1,2-diamine
CID 62542388
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
2-N-cyclopropyl-4-[4-(difluoromethoxy)phenyl]-2-methylbutane-1,2-diamine
CID 62072234
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
5-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64803546
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol (CID 61055180) is 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is UTFKQPDXHJGUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-10-18-15(2,11-19)9-8-12-4-6-13(7-5-12)20-14(16)17/h4-7,14,18-19H,3,8-11H2,1-2H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol?
4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 287.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 61055180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).