N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine

C15H22F3NO2 — CID 82962987

IUPACN-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
SMILESCOc1ccc(C(CNC(C)C)OCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-11(2)19-10-14(21-9-8-15(16,17)18)12-4-6-13(20-3)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyIVQXMWZDHQUQDD-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine

N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine (PubChem CID 82962987) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
PubChem CID82962987
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
SMILESCOc1ccc(C(CNC(C)C)OCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-11(2)19-10-14(21-9-8-15(16,17)18)12-4-6-13(20-3)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyIVQXMWZDHQUQDD-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
N-[2-(4-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783070
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
N-[2-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958751
N-ethyl-2-(4-methoxyphenyl)-2-propoxyethanamine
CID 55036698
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
CID 81342777
N-ethyl-2-(4-methoxyphenyl)-2-(3-methylbutoxy)ethanamine
CID 62107398

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine (CID 82962987) is N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine is COc1ccc(C(CNC(C)C)OCCC(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine?
The InChIKey is IVQXMWZDHQUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-11(2)19-10-14(21-9-8-15(16,17)18)12-4-6-13(20-3)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine?
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 82962987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).