1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

C23H33NO2S — CID 138960999

IUPAC1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC(c2cccs2)C2CCCC2)ccc1C(C)C
InChIInChI=1S/C23H33NO2S/c1-16(2)21-11-10-20(13-17(21)3)26-15-19(25)14-24-23(18-7-4-5-8-18)22-9-6-12-27-22/h6,9-13,16,18-19,23-25H,4-5,7-8,14-15H2,1-3H3
InChIKeyBLUCCLAVUVTILT-UHFFFAOYSA-N
MW387.59 g/mol
LogP5.44
Rot. Bonds9

About 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol

1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (PubChem CID 138960999) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
PubChem CID138960999
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
SMILESCc1cc(OCC(O)CNC(c2cccs2)C2CCCC2)ccc1C(C)C
InChIInChI=1S/C23H33NO2S/c1-16(2)21-11-10-20(13-17(21)3)26-15-19(25)14-24-23(18-7-4-5-8-18)22-9-6-12-27-22/h6,9-13,16,18-19,23-25H,4-5,7-8,14-15H2,1-3H3
InChIKeyBLUCCLAVUVTILT-UHFFFAOYSA-N
XLogP5.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 138960975
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-methoxyphenoxy)propan-2-ol
CID 138960997
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-(2-fluorophenoxy)propan-2-ol
CID 138961019
1-[2-[3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 138961033
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 112840118
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol (CID 138960999) is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is Cc1cc(OCC(O)CNC(c2cccs2)C2CCCC2)ccc1C(C)C.
What is the InChIKey of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is BLUCCLAVUVTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-16(2)21-11-10-20(13-17(21)3)26-15-19(25)14-24-23(18-7-4-5-8-18)22-9-6-12-27-22/h6,9-13,16,18-19,23-25H,4-5,7-8,14-15H2,1-3H3.
What are the key properties of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol?
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 387.59 g/mol, XLogP of 5.44, 9 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-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 138960999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).