1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine

C14H20F3NO — CID 62548031

IUPAC1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
SMILESCCCc1ccc(OC(C(N)CC)C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-5-10-6-8-11(9-7-10)19-13(12(18)4-2)14(15,16)17/h6-9,12-13H,3-5,18H2,1-2H3
InChIKeyOGQLZKCXOXNUSS-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.69
Rot. Bonds6

About 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine

1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine (PubChem CID 62548031) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
PubChem CID62548031
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine
SMILESCCCc1ccc(OC(C(N)CC)C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-5-10-6-8-11(9-7-10)19-13(12(18)4-2)14(15,16)17/h6-9,12-13H,3-5,18H2,1-2H3
InChIKeyOGQLZKCXOXNUSS-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-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-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropentan-3-amine
CID 83133335
1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 62549234
4-(4-tert-butylphenoxy)-5,5-dimethylhexan-3-amine
CID 63458446
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
1-(2-bromo-3,3,3-trifluoropropoxy)-4-propylbenzene
CID 64757902
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine (CID 62548031) is 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine is CCCc1ccc(OC(C(N)CC)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine?
The InChIKey is OGQLZKCXOXNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-5-10-6-8-11(9-7-10)19-13(12(18)4-2)14(15,16)17/h6-9,12-13H,3-5,18H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine?
1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine has a molecular weight of 275.31 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-propylphenoxy)pentan-3-amine is sourced from PubChem (CID 62548031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).