3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine

C14H20F3NO2 — CID 28726645

IUPAC3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)OCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(2)19-9-5-8-18-10-12-6-3-4-7-13(12)20-14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeySBZJVWHMPJCDOD-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.49
Rot. Bonds8

About 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine

3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 28726645) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID28726645
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)OCCCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-11(2)19-9-5-8-18-10-12-6-3-4-7-13(12)20-14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeySBZJVWHMPJCDOD-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-propan-2-yloxypropyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86925085
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
(E)-N-[[2-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 115629021

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 28726645) is 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is CC(C)OCCCNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is SBZJVWHMPJCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-11(2)19-9-5-8-18-10-12-6-3-4-7-13(12)20-14(15,16)17/h3-4,6-7,11,18H,5,8-10H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 28726645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).