1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine

C16H23F2NO — CID 105412438

IUPAC1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO/c1-19-15(5-6-16-4-2-3-7-20-16)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,2-7,10H2,1H3
InChIKeyLNFBVUNXJYEHFR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.44
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine

1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine (PubChem CID 105412438) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
PubChem CID105412438
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H23F2NO/c1-19-15(5-6-16-4-2-3-7-20-16)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,2-7,10H2,1H3
InChIKeyLNFBVUNXJYEHFR-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
1-(2-bromo-5-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115843578
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(4-bromo-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115844482
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(3-chloro-2-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 82805857

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine (CID 105412438) is 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine is CNC(CCC1CCCCO1)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
The InChIKey is LNFBVUNXJYEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-19-15(5-6-16-4-2-3-7-20-16)10-12-8-13(17)11-14(18)9-12/h8-9,11,15-16,19H,2-7,10H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine?
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 105412438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).