N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine

C15H23NOS — CID 80621805

IUPACN-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-3-16-15(14-10-7-11-18-14)12-8-5-6-9-13(12)17-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyPYIOLUGAFLEICK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds6

About N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine

N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine (PubChem CID 80621805) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
PubChem CID80621805
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-3-16-15(14-10-7-11-18-14)12-8-5-6-9-13(12)17-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyPYIOLUGAFLEICK-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(2-chlorophenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627512
N-[[2-(2-methoxyethoxy)phenyl]-(thiolan-2-yl)methyl]propan-1-amine
CID 104660569
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
N-[(2,4-dimethoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626389
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
N-[(5-chloro-2-methoxyphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626589

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine (CID 80621805) is N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine is CCNC(c1ccccc1OCC)C1CCCS1.
What is the InChIKey of N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine?
The InChIKey is PYIOLUGAFLEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-16-15(14-10-7-11-18-14)12-8-5-6-9-13(12)17-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine?
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).