N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine

C15H23NOS — CID 114246866

IUPACN-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)C1CC2CCC1C2
InChIInChI=1S/C15H23NOS/c1-3-16-15(14-8-12(17-2)9-18-14)13-7-10-4-5-11(13)6-10/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyQUYQIOOQCDSCFQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.84
Rot. Bonds5

About N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 114246866) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID114246866
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)C1CC2CCC1C2
InChIInChI=1S/C15H23NOS/c1-3-16-15(14-8-12(17-2)9-18-14)13-7-10-4-5-11(13)6-10/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyQUYQIOOQCDSCFQ-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[2-bicyclo[2.2.1]heptanyl(thiophen-2-yl)methyl]ethanamine
CID 61365333
N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
N-[(4-methoxythiophen-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010344
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[(4-cyclopropyloxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105051586
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 102828861

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 114246866) is N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc(OC)cs1)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is QUYQIOOQCDSCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-16-15(14-8-12(17-2)9-18-14)13-7-10-4-5-11(13)6-10/h8-11,13,15-16H,3-7H2,1-2H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 114246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).