2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol

C18H23NOS — CID 63324944

IUPAC2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C18H23NOS/c1-13-8-9-16(20)15(11-13)12-19-18(14-5-2-3-6-14)17-7-4-10-21-17/h4,7-11,14,18-20H,2-3,5-6,12H2,1H3
InChIKeyOQBXWCHCELCCPA-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.78
Rot. Bonds5

About 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol

2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol (PubChem CID 63324944) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
PubChem CID63324944
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNC(c2cccs2)C2CCCC2)c1
InChIInChI=1S/C18H23NOS/c1-13-8-9-16(20)15(11-13)12-19-18(14-5-2-3-6-14)17-7-4-10-21-17/h4,7-11,14,18-20H,2-3,5-6,12H2,1H3
InChIKeyOQBXWCHCELCCPA-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 63478842
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 63452373
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2,4-dimethylphenoxy)propan-2-ol
CID 138960975
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol (CID 63324944) is 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNC(c2cccs2)C2CCCC2)c1.
What is the InChIKey of 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol?
The InChIKey is OQBXWCHCELCCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-8-9-16(20)15(11-13)12-19-18(14-5-2-3-6-14)17-7-4-10-21-17/h4,7-11,14,18-20H,2-3,5-6,12H2,1H3.
What are the key properties of 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol?
2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol has a molecular weight of 301.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopentyl(thiophen-2-yl)methyl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 63324944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).