1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine

C15H21F2NO2 — CID 104993455

IUPAC1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c16-15(17)20-13-6-1-4-11(10-13)14(18)8-2-5-12-7-3-9-19-12/h1,4,6,10,12,14-15H,2-3,5,7-9,18H2
InChIKeyJJYJOVAQAZUOCZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.64
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine

1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993455) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993455
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
SMILESNC(CCCC1CCCO1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H21F2NO2/c16-15(17)20-13-6-1-4-11(10-13)14(18)8-2-5-12-7-3-9-19-12/h1,4,6,10,12,14-15H,2-3,5,7-9,18H2
InChIKeyJJYJOVAQAZUOCZ-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine (CID 104993455) is 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine is NC(CCCC1CCCO1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is JJYJOVAQAZUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-15(17)20-13-6-1-4-11(10-13)14(18)8-2-5-12-7-3-9-19-12/h1,4,6,10,12,14-15H,2-3,5,7-9,18H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine?
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).