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

C20H27NO3S — CID 138960997

IUPAC1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H27NO3S/c1-23-17-9-4-5-10-18(17)24-14-16(22)13-21-20(15-7-2-3-8-15)19-11-6-12-25-19/h4-6,9-12,15-16,20-22H,2-3,7-8,13-14H2,1H3
InChIKeyRHVOVJFUHAGADT-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.02
Rot. Bonds9

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

1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 138960997) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID138960997
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC(c1cccs1)C1CCCC1
InChIInChI=1S/C20H27NO3S/c1-23-17-9-4-5-10-18(17)24-14-16(22)13-21-20(15-7-2-3-8-15)19-11-6-12-25-19/h4-6,9-12,15-16,20-22H,2-3,7-8,13-14H2,1H3
InChIKeyRHVOVJFUHAGADT-UHFFFAOYSA-N
XLogP4.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 138960975
1-(2-tert-butyl-4-methoxyphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961003
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-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 138960999
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
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
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol (CID 138960997) is 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNC(c1cccs1)C1CCCC1.
What is the InChIKey of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is RHVOVJFUHAGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-23-17-9-4-5-10-18(17)24-14-16(22)13-21-20(15-7-2-3-8-15)19-11-6-12-25-19/h4-6,9-12,15-16,20-22H,2-3,7-8,13-14H2,1H3.
What are the key properties of 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol?
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 361.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 138960997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).