1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine

C15H21BrF3NO — CID 79959284

IUPAC1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H21BrF3NO/c1-3-8-20-13(6-7-15(17,18)19)10-11-9-12(16)4-5-14(11)21-2/h4-5,9,13,20H,3,6-8,10H2,1-2H3
InChIKeyZNNOKUVMNLMRFM-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.71
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine

1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine (PubChem CID 79959284) has the molecular formula C15H21BrF3NO and a molecular weight of 368.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
PubChem CID79959284
Molecular FormulaC15H21BrF3NO
Molecular Weight368.24 g/mol
Exact Mass367.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H21BrF3NO/c1-3-8-20-13(6-7-15(17,18)19)10-11-9-12(16)4-5-14(11)21-2/h4-5,9,13,20H,3,6-8,10H2,1-2H3
InChIKeyZNNOKUVMNLMRFM-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-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

1-(5-bromo-2-methoxyphenyl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127733
1-(5-bromo-2-methoxyphenyl)-N-propylhexan-3-amine
CID 63399896
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357
[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151651
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-(5-bromo-2-methoxyphenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 115817611
1-(5-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 115816951
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(5-bromo-2-methoxyphenyl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43493898

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine (CID 79959284) is 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
The InChIKey is ZNNOKUVMNLMRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF3NO/c1-3-8-20-13(6-7-15(17,18)19)10-11-9-12(16)4-5-14(11)21-2/h4-5,9,13,20H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine?
1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine has a molecular weight of 368.24 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine is sourced from PubChem (CID 79959284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).