N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine

C14H20F3NO — CID 43489780

IUPACN-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(CCOC)cc1
InChIInChI=1S/C14H20F3NO/c1-3-18-13(10-14(15,16)17)12-6-4-11(5-7-12)8-9-19-2/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyDSCIGENKBKGSKG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.48
Rot. Bonds7

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

N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine (PubChem CID 43489780) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
PubChem CID43489780
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(CCOC)cc1
InChIInChI=1S/C14H20F3NO/c1-3-18-13(10-14(15,16)17)12-6-4-11(5-7-12)8-9-19-2/h4-7,13,18H,3,8-10H2,1-2H3
InChIKeyDSCIGENKBKGSKG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-chloro-3,3,3-trifluoropropyl)-4-(2-methoxyethyl)benzene
CID 55134945
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
2,2,3,3,3-pentafluoro-1-[4-(2-methoxyethyl)phenyl]-N-methylpropan-1-amine
CID 43482337
N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine (CID 43489780) is N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine is CCNC(CC(F)(F)F)c1ccc(CCOC)cc1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine?
The InChIKey is DSCIGENKBKGSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-18-13(10-14(15,16)17)12-6-4-11(5-7-12)8-9-19-2/h4-7,13,18H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine is sourced from PubChem (CID 43489780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).