1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C16H24F3NO — CID 105013266

IUPAC1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-4-9-20-15(11-21-12(2)3)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeyDJDWQYLWQVIHOR-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.04
Rot. Bonds8

About 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine

1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 105013266) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID105013266
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-4-9-20-15(11-21-12(2)3)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3
InChIKeyDJDWQYLWQVIHOR-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63526917
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 104987546
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
1-(5-ethyl-2-pyridinyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105169027
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
CID 105152021
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-(2-bromo-3-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105172212
1-(3-chloro-2-fluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 82805882

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 105013266) is 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CCCNC(COC(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is DJDWQYLWQVIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-4-9-20-15(11-21-12(2)3)10-13-5-7-14(8-6-13)16(17,18)19/h5-8,12,15,20H,4,9-11H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 303.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 105013266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).