N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H23F3N2O — CID 62426299

IUPACN-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCOc1cccc(CNC)c1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-7-20(12-15(16,17)18)8-9-21-14-6-4-5-13(10-14)11-19-2/h4-6,10,19H,3,7-9,11-12H2,1-2H3
InChIKeyCHVRHEWOKNETAP-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.06
Rot. Bonds9

About N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62426299) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62426299
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CCOc1cccc(CNC)c1)CC(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-7-20(12-15(16,17)18)8-9-21-14-6-4-5-13(10-14)11-19-2/h4-6,10,19H,3,7-9,11-12H2,1-2H3
InChIKeyCHVRHEWOKNETAP-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 62416994
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 62426627
N-methyl-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 55074867
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62426446
N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
CID 103340400
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
N-ethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]propan-1-amine
CID 55074636
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
2-[(3-propoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263713
N-methyl-1-[3-(3-methylsulfonylpropoxy)phenyl]methanamine
CID 63191009

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62426299) is N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CCOc1cccc(CNC)c1)CC(F)(F)F.
What is the InChIKey of N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is CHVRHEWOKNETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-7-20(12-15(16,17)18)8-9-21-14-6-4-5-13(10-14)11-19-2/h4-6,10,19H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62426299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).