N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine

C15H23F3N2 — CID 62426089

IUPACN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCCN(Cc1ccc(CNC(C)C)cc1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-4-20(11-15(16,17)18)10-14-7-5-13(6-8-14)9-19-12(2)3/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyJYYYQTOTCXLQEQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.57
Rot. Bonds7

About N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine

N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 62426089) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
PubChem CID62426089
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCCN(Cc1ccc(CNC(C)C)cc1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-4-20(11-15(16,17)18)10-14-7-5-13(6-8-14)9-19-12(2)3/h5-8,12,19H,4,9-11H2,1-3H3
InChIKeyJYYYQTOTCXLQEQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 62426087
N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 55070316
N-methyl-4-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 60890448
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62426086
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
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-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
N-ethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 55009119
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine (CID 62426089) is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine is CCN(Cc1ccc(CNC(C)C)cc1)CC(F)(F)F.
What is the InChIKey of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is JYYYQTOTCXLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-20(11-15(16,17)18)10-14-7-5-13(6-8-14)9-19-12(2)3/h5-8,12,19H,4,9-11H2,1-3H3.
What are the key properties of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine?
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 288.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62426089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).