N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine

C15H22F3NO2 — CID 82961009

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCCNC(COCCC(F)(F)F)c1cc(C)ccc1OC
InChIInChI=1S/C15H22F3NO2/c1-4-19-13(10-21-8-7-15(16,17)18)12-9-11(2)5-6-14(12)20-3/h5-6,9,13,19H,4,7-8,10H2,1-3H3
InChIKeyIMIOYRFLNLOSMT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.62
Rot. Bonds8

About N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine

N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 82961009) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID82961009
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESCCNC(COCCC(F)(F)F)c1cc(C)ccc1OC
InChIInChI=1S/C15H22F3NO2/c1-4-19-13(10-21-8-7-15(16,17)18)12-9-11(2)5-6-14(12)20-3/h5-6,9,13,19H,4,7-8,10H2,1-3H3
InChIKeyIMIOYRFLNLOSMT-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
N-[2-(2-cyclopropylethoxy)-1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 106200526
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102606127
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207670
N'-[2-(dimethylamino)ethyl]-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63694845
N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64613261
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine (CID 82961009) is N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine is CCNC(COCCC(F)(F)F)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is IMIOYRFLNLOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-4-19-13(10-21-8-7-15(16,17)18)12-9-11(2)5-6-14(12)20-3/h5-6,9,13,19H,4,7-8,10H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 305.34 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 82961009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).