2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol

C20H27NO3S — CID 112840118

IUPAC2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C20H27NO3S/c1-23-15-9-10-18(24-2)16(12-15)17(22)13-21-20(14-6-3-4-7-14)19-8-5-11-25-19/h5,8-12,14,17,20-22H,3-4,6-7,13H2,1-2H3
InChIKeyZPTDEOPZXOUMIC-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.32
Rot. Bonds8

About 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol

2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 112840118) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID112840118
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC Name2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C20H27NO3S/c1-23-15-9-10-18(24-2)16(12-15)17(22)13-21-20(14-6-3-4-7-14)19-8-5-11-25-19/h5,8-12,14,17,20-22H,3-4,6-7,13H2,1-2H3
InChIKeyZPTDEOPZXOUMIC-UHFFFAOYSA-N
XLogP4.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-methoxyphenoxy)propan-2-ol
CID 138960997
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 138960975
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 138960999
1-(2-methoxy-5-methylphenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408941
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
1-(4-chloro-2-methylphenoxy)-3-[[cyclopentyl(thiophen-2-yl)methyl]amino]propan-2-ol
CID 138961023
1-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 60707211
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (CID 112840118) is 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)CNC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is ZPTDEOPZXOUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-23-15-9-10-18(24-2)16(12-15)17(22)13-21-20(14-6-3-4-7-14)19-8-5-11-25-19/h5,8-12,14,17,20-22H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol?
2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 361.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 112840118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).