N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C15H22F4N2 — CID 107454440

IUPACN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCNCc1ccc(F)c(CN(CC(F)(F)F)C(C)C)c1
InChIInChI=1S/C15H22F4N2/c1-4-20-8-12-5-6-14(16)13(7-12)9-21(11(2)3)10-15(17,18)19/h5-7,11,20H,4,8-10H2,1-3H3
InChIKeyBGOWDQPTVOBATK-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.71
Rot. Bonds7

About N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 107454440) has the molecular formula C15H22F4N2 and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID107454440
Molecular FormulaC15H22F4N2
Molecular Weight306.35 g/mol
Exact Mass306.17
IUPAC NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCNCc1ccc(F)c(CN(CC(F)(F)F)C(C)C)c1
InChIInChI=1S/C15H22F4N2/c1-4-20-8-12-5-6-14(16)13(7-12)9-21(11(2)3)10-15(17,18)19/h5-7,11,20H,4,8-10H2,1-3H3
InChIKeyBGOWDQPTVOBATK-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107454847
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62017221
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369
N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008993
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981726
4-fluoro-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006653
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 107454440) is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CCNCc1ccc(F)c(CN(CC(F)(F)F)C(C)C)c1.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is BGOWDQPTVOBATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F4N2/c1-4-20-8-12-5-6-14(16)13(7-12)9-21(11(2)3)10-15(17,18)19/h5-7,11,20H,4,8-10H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 306.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 107454440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).