2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O2 — CID 78787774

IUPAC2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(13(20)18-9-14(15,16)17)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyWLQJVEAWVTVPHA-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.19
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78787774) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78787774
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cccc(CN(C)C(C)C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-10(13(20)18-9-14(15,16)17)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,20)
InChIKeyWLQJVEAWVTVPHA-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 51168236
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787853
(2R)-2-[(3-methoxyphenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356827
N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 55525219
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
(2S)-2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxyphenyl)propanamide
CID 9039901
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 46823246

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 78787774) is 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is COc1cccc(CN(C)C(C)C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WLQJVEAWVTVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(13(20)18-9-14(15,16)17)19(2)8-11-5-4-6-12(7-11)21-3/h4-7,10H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78787774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).