N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

C15H23F2NO — CID 104628826

IUPACN-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-11(12-6-5-7-13(16)14(12)17)18-10-15(2,3)8-9-19-4/h5-7,11,18H,8-10H2,1-4H3
InChIKeyJHYOZLMANXQSOW-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104628826) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104628826
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1cccc(F)c1F
InChIInChI=1S/C15H23F2NO/c1-11(12-6-5-7-13(16)14(12)17)18-10-15(2,3)8-9-19-4/h5-7,11,18H,8-10H2,1-4H3
InChIKeyJHYOZLMANXQSOW-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628810
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
N-[1-(2,3-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103924760
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 104628826) is N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNC(C)c1cccc(F)c1F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is JHYOZLMANXQSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-11(12-6-5-7-13(16)14(12)17)18-10-15(2,3)8-9-19-4/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104628826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).