2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid

C12H16F3NO3 — CID 69301984

IUPAC2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
SMILESCNCCc1ccc(OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15NO.C2HF3O2/c1-11-8-7-9-3-5-10(12-2)6-4-9;3-2(4,5)1(6)7/h3-6,11H,7-8H2,1-2H3;(H,6,7)
InChIKeyBZUUOWOOTPRXID-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid

2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 69301984) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
PubChem CID69301984
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
SMILESCNCCc1ccc(OC)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15NO.C2HF3O2/c1-11-8-7-9-3-5-10(12-2)6-4-9;3-2(4,5)1(6)7/h3-6,11H,7-8H2,1-2H3;(H,6,7)
InChIKeyBZUUOWOOTPRXID-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
anisole;2,2,2-trifluoroacetic acid
CID 66633105
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
1,1,1-trifluoro-3-[2-(4-methoxyphenyl)ethylsulfanyl]propan-2-one
CID 127052821
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
2-[2-(4-methoxyphenyl)ethylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116536584
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 23509913

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid (CID 69301984) is 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid is CNCCc1ccc(OC)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is BZUUOWOOTPRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2HF3O2/c1-11-8-7-9-3-5-10(12-2)6-4-9;3-2(4,5)1(6)7/h3-6,11H,7-8H2,1-2H3;(H,6,7).
What are the key properties of 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid?
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 279.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69301984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).