N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine

C16H24F3NO — CID 105351077

IUPACN-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COC(C)C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-11(2)20-9-12(3)15-7-5-14(6-8-15)10-21-13(4)16(17,18)19/h5-8,11-13,20H,9-10H2,1-4H3
InChIKeyROZLUBDUQUHPJO-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.26
Rot. Bonds7

About N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine

N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine (PubChem CID 105351077) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
PubChem CID105351077
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COC(C)C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-11(2)20-9-12(3)15-7-5-14(6-8-15)10-21-13(4)16(17,18)19/h5-8,11-13,20H,9-10H2,1-4H3
InChIKeyROZLUBDUQUHPJO-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[2-(4-fluorophenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62108079
2-methyl-N-[2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propyl]propan-1-amine
CID 105349086
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
N-ethyl-1-(4-propylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277594
N-[[3-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275759

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine (CID 105351077) is N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine is CC(C)NCC(C)c1ccc(COC(C)C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine?
The InChIKey is ROZLUBDUQUHPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-11(2)20-9-12(3)15-7-5-14(6-8-15)10-21-13(4)16(17,18)19/h5-8,11-13,20H,9-10H2,1-4H3.
What are the key properties of N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine?
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105351077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).