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

C20H26ClNO2S — CID 138961023

IUPAC1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1cc(Cl)ccc1OCC(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H26ClNO2S/c1-14-11-16(21)8-9-18(14)24-13-17(23)12-22-20(15-5-2-3-6-15)19-7-4-10-25-19/h4,7-11,15,17,20,22-23H,2-3,5-6,12-13H2,1H3
InChIKeyMYFPMDUAEVYHQZ-UHFFFAOYSA-N
MW379.95 g/mol
LogP4.97
Rot. Bonds8

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

1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 138961023) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID138961023
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC Name1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1cc(Cl)ccc1OCC(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H26ClNO2S/c1-14-11-16(21)8-9-18(14)24-13-17(23)12-22-20(15-5-2-3-6-15)19-7-4-10-25-19/h4,7-11,15,17,20,22-23H,2-3,5-6,12-13H2,1H3
InChIKeyMYFPMDUAEVYHQZ-UHFFFAOYSA-N
XLogP4.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.95
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]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-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 138961019
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-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 138960999
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
CID 112840118
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol (CID 138961023) is 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol is Cc1cc(Cl)ccc1OCC(O)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is MYFPMDUAEVYHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2S/c1-14-11-16(21)8-9-18(14)24-13-17(23)12-22-20(15-5-2-3-6-15)19-7-4-10-25-19/h4,7-11,15,17,20,22-23H,2-3,5-6,12-13H2,1H3.
What are the key properties of 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol?
1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 379.95 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 138961023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).