3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

C13H16F3NO — CID 61398898

IUPAC3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESNCC(Oc1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,17H2
InChIKeyBSLIZLQPDHVSNT-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.83
Rot. Bonds3

About 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine

3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (PubChem CID 61398898) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
PubChem CID61398898
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
SMILESNCC(Oc1ccc2c(c1)CCCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,17H2
InChIKeyBSLIZLQPDHVSNT-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
CID 103366723
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
CID 64757499
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381
2-amino-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-ol
CID 64810416
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine (CID 61398898) is 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is NCC(Oc1ccc2c(c1)CCCC2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
The InChIKey is BSLIZLQPDHVSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12(8-17)18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8,17H2.
What are the key properties of 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine?
3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine is sourced from PubChem (CID 61398898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).