N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine

C14H20F3NO2 — CID 43279496

IUPACN-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C14H20F3NO2/c1-4-7-18-10(2)11-5-6-12(13(8-11)19-3)20-9-14(15,16)17/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyHJDQWIDCKGEHPJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.70
Rot. Bonds7

About N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43279496) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
PubChem CID43279496
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C14H20F3NO2/c1-4-7-18-10(2)11-5-6-12(13(8-11)19-3)20-9-14(15,16)17/h5-6,8,10,18H,4,7,9H2,1-3H3
InChIKeyHJDQWIDCKGEHPJ-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
N-[1-[3-methyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106704787
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
1-(3-bromo-4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826770
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine (CID 43279496) is N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCC(F)(F)F)c(OC)c1.
What is the InChIKey of N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is HJDQWIDCKGEHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-7-18-10(2)11-5-6-12(13(8-11)19-3)20-9-14(15,16)17/h5-6,8,10,18H,4,7,9H2,1-3H3.
What are the key properties of N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43279496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).