5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine

C16H22F3NO — CID 65445142

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)CC(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-2-8-20-14(11-16(17,18)19)5-3-12-4-6-15-13(10-12)7-9-21-15/h4,6,10,14,20H,2-3,5,7-9,11H2,1H3
InChIKeyPRYKHRCFIDQUMY-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.87
Rot. Bonds7

About 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine

5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine (PubChem CID 65445142) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
PubChem CID65445142
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccc2c(c1)CCO2)CC(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-2-8-20-14(11-16(17,18)19)5-3-12-4-6-15-13(10-12)7-9-21-15/h4,6,10,14,20H,2-3,5,7-9,11H2,1H3
InChIKeyPRYKHRCFIDQUMY-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-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

4-(2,3-dihydro-1-benzofuran-5-yl)-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
CID 65445719
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65446270
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65444828
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propyl-1-(thiadiazol-5-yl)propan-1-amine
CID 105152125
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethoxybutan-2-yl]hydrazine
CID 105235222
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine (CID 65445142) is 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine is CCCNC(CCc1ccc2c(c1)CCO2)CC(F)(F)F.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine?
The InChIKey is PRYKHRCFIDQUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-8-20-14(11-16(17,18)19)5-3-12-4-6-15-13(10-12)7-9-21-15/h4,6,10,14,20H,2-3,5,7-9,11H2,1H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine has a molecular weight of 301.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoro-N-propylpentan-3-amine is sourced from PubChem (CID 65445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).