1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol

C19H24FNO2S — CID 138961019

IUPAC1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNC(c1cccs1)C1CCCC1)COc1ccccc1F
InChIInChI=1S/C19H24FNO2S/c20-16-8-3-4-9-17(16)23-13-15(22)12-21-19(14-6-1-2-7-14)18-10-5-11-24-18/h3-5,8-11,14-15,19,21-22H,1-2,6-7,12-13H2
InChIKeyBIHVNLAGXLEXSY-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.15
Rot. Bonds8

About 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol

1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 138961019) has the molecular formula C19H24FNO2S and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID138961019
Molecular FormulaC19H24FNO2S
Molecular Weight349.47 g/mol
Exact Mass349.15
IUPAC Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNC(c1cccs1)C1CCCC1)COc1ccccc1F
InChIInChI=1S/C19H24FNO2S/c20-16-8-3-4-9-17(16)23-13-15(22)12-21-19(14-6-1-2-7-14)18-10-5-11-24-18/h3-5,8-11,14-15,19,21-22H,1-2,6-7,12-13H2
InChIKeyBIHVNLAGXLEXSY-UHFFFAOYSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol with MolForge

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Related Compounds

1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960997
1-[2-[3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 138961033
1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961023
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 138960975
1-[[(1S)-1-cyclopentylethyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 81395407
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 138960999
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol (CID 138961019) is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol is OC(CNC(c1cccs1)C1CCCC1)COc1ccccc1F.
What is the InChIKey of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is BIHVNLAGXLEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2S/c20-16-8-3-4-9-17(16)23-13-15(22)12-21-19(14-6-1-2-7-14)18-10-5-11-24-18/h3-5,8-11,14-15,19,21-22H,1-2,6-7,12-13H2.
What are the key properties of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol?
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 349.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 138961019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).