2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid

C13H19F3N2O2 — CID 23090956

IUPAC2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1ccc(CCN)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2.C2HF3O2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12;3-2(4,5)1(6)7/h3-6H,7-9,12H2,1-2H3;(H,6,7)
InChIKeySBZRCUZWYGVIEF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid

2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 23090956) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID23090956
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1ccc(CCN)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H18N2.C2HF3O2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12;3-2(4,5)1(6)7/h3-6H,7-9,12H2,1-2H3;(H,6,7)
InChIKeySBZRCUZWYGVIEF-UHFFFAOYSA-N
XLogP1.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-4-(4-nonyl-benzylamino)-butyric acid
CID 10125882
2,2-Difluoro-4-(4-nonyl-benzylamino)-butyric acid
CID 10193676
N-(3-aminopropyl)-N'-[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 44372225
N',N'-dimethyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propane-1,3-diamine;2,2,2-trifluoroacetic acid
CID 44536151
1-(cyclohexylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536488
1-hexyl-N-[(4-methylphenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536500
1-hexyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536502
1-hexyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536504
4-[(4-Octylphenyl)methylamino]butanoic acid
CID 137638716
Benzylphenethylammonium acetate
CID 44152400
N,N'-bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 391190
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-hexylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 44536490

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid (CID 23090956) is 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid is CN(C)Cc1ccc(CCN)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SBZRCUZWYGVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2HF3O2/c1-13(2)9-11-5-3-10(4-6-11)7-8-12;3-2(4,5)1(6)7/h3-6H,7-9,12H2,1-2H3;(H,6,7).
What are the key properties of 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid?
2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 292.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]phenyl]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23090956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).