1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine

C15H21F2NO2 — CID 71879523

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(c1ccc(OC(F)F)cc1)N(C)CC1CCCO1
InChIInChI=1S/C15H21F2NO2/c1-11(18(2)10-14-4-3-9-19-14)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyDMFDEQFBQXPCAZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 71879523) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID71879523
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(c1ccc(OC(F)F)cc1)N(C)CC1CCCO1
InChIInChI=1S/C15H21F2NO2/c1-11(18(2)10-14-4-3-9-19-14)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15H,3-4,9-10H2,1-2H3
InChIKeyDMFDEQFBQXPCAZ-UHFFFAOYSA-N
XLogP3.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 124866653
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)-1-phenylbutane-1,2-diamine
CID 61431053
2-[2-bromo-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65157874
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140
3-[1-[4-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65066943
3-[4-(difluoromethoxy)phenyl]-1-methyl-1-[2-[(2S)-oxan-2-yl]ethyl]urea
CID 125165120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine (CID 71879523) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine is CC(c1ccc(OC(F)F)cc1)N(C)CC1CCCO1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DMFDEQFBQXPCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-11(18(2)10-14-4-3-9-19-14)12-5-7-13(8-6-12)20-15(16)17/h5-8,11,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 285.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 71879523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).