N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide

C14H19F3N2O — CID 61167213

IUPACN-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)CNCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-13(2,3)9-18-8-10-5-4-6-11(7-10)19-12(20)14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyOZQMRDOWZNLWIP-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.32
Rot. Bonds4

About N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 61167213) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID61167213
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)CNCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-13(2,3)9-18-8-10-5-4-6-11(7-10)19-12(20)14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyOZQMRDOWZNLWIP-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[3-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 114615567
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
N-[3-[(1,3-dihydroxypropan-2-ylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 65312736
4-oxo-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pentanamide
CID 108934610
N-[3-[(2-cyclohexylethylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225311
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288
N-(3-acetamidophenyl)-2,2,2-trifluoroacetamide
CID 895724
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709
N-[3-[(2-chloro-4-fluoro-5-methylanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 112734595

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide (CID 61167213) is N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide is CC(C)(C)CNCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is OZQMRDOWZNLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(2,3)9-18-8-10-5-4-6-11(7-10)19-12(20)14(15,16)17/h4-7,18H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 288.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 61167213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).