N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine

C14H21F3N2 — CID 62426087

IUPACN-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1ccc(CN(CC)CC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-3-18-9-12-5-7-13(8-6-12)10-19(4-2)11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyQKQCDNDLLPSODA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.18
Rot. Bonds7

About N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine

N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine (PubChem CID 62426087) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
PubChem CID62426087
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
SMILESCCNCc1ccc(CN(CC)CC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-3-18-9-12-5-7-13(8-6-12)10-19(4-2)11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3
InChIKeyQKQCDNDLLPSODA-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 102770001
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62426446
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-fluorobenzoic acid
CID 107880683
N-[[4-(diethylaminomethyl)phenyl]methyl]prop-2-yn-1-amine
CID 60697149
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine (CID 62426087) is N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine is CCNCc1ccc(CN(CC)CC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine?
The InChIKey is QKQCDNDLLPSODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-3-18-9-12-5-7-13(8-6-12)10-19(4-2)11-14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine?
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine has a molecular weight of 274.33 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62426087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).