3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H20F3N — CID 114899283

IUPAC3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C)c(CC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10-4-5-12(3)13(6-10)7-11(2)8-18-9-14(15,16)17/h4-6,11,18H,7-9H2,1-3H3
InChIKeyCTVGRFSXUABMHH-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.63
Rot. Bonds5

About 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114899283) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114899283
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1ccc(C)c(CC(C)CNCC(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-10-4-5-12(3)13(6-10)7-11(2)8-18-9-14(15,16)17/h4-6,11,18H,7-9H2,1-3H3
InChIKeyCTVGRFSXUABMHH-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107309848
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
3-(2,5-dimethylphenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 115802743
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205901
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62584860
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
N-[2-(2,4-dimethylphenyl)sulfanylethyl]-2,2,2-trifluoroethanamine
CID 62583912
4-(2,5-dimethylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81016684
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
[1-chloro-3-(2,5-dimethylphenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265366
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114899283) is 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1ccc(C)c(CC(C)CNCC(F)(F)F)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is CTVGRFSXUABMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10-4-5-12(3)13(6-10)7-11(2)8-18-9-14(15,16)17/h4-6,11,18H,7-9H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114899283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).