N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine

C14H21F2NO — CID 102977960

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(17-8-7-14(2,3)18-4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyRJXCTWYLGNXPJJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.43
Rot. Bonds6

About N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine

N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine (PubChem CID 102977960) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
PubChem CID102977960
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(17-8-7-14(2,3)18-4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyRJXCTWYLGNXPJJ-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
4-[1-(2,5-difluorophenyl)ethylamino]butan-2-ol
CID 64912368
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
1-(2,5-difluorophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63983699
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
3-methoxy-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 103033487
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2,5-difluorophenyl)ethanamine
CID 102977961
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
N-[1-(2,5-difluorophenyl)ethyl]pent-3-yn-1-amine
CID 104758066
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine (CID 102977960) is N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine?
The InChIKey is RJXCTWYLGNXPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(17-8-7-14(2,3)18-4)12-9-11(15)5-6-13(12)16/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine?
N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 102977960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).