2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine

C16H24F3NO — CID 105349086

IUPAC2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
SMILESCC(C)CNCC(C)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)8-20-9-13(3)15-6-4-14(5-7-15)10-21-11-16(17,18)19/h4-7,12-13,20H,8-11H2,1-3H3
InChIKeyKBMVSNBTVZEODK-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.11
Rot. Bonds8

About 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine

2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine (PubChem CID 105349086) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
PubChem CID105349086
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
SMILESCC(C)CNCC(C)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)8-20-9-13(3)15-6-4-14(5-7-15)10-21-11-16(17,18)19/h4-7,12-13,20H,8-11H2,1-3H3
InChIKeyKBMVSNBTVZEODK-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]ethyl]propan-1-amine
CID 105349058
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
N-methyl-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62443882
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine (CID 105349086) is 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine is CC(C)CNCC(C)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine?
The InChIKey is KBMVSNBTVZEODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(2)8-20-9-13(3)15-6-4-14(5-7-15)10-21-11-16(17,18)19/h4-7,12-13,20H,8-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine?
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine is sourced from PubChem (CID 105349086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).