1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

C14H21NOS — CID 105140814

IUPAC1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCCOc1ccc(C(NC)C2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-3-16-13-6-4-11(5-7-13)14(15-2)12-8-9-17-10-12/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyIMKSJQZRJSHHJT-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.10
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine

1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (PubChem CID 105140814) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
PubChem CID105140814
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
SMILESCCOc1ccc(C(NC)C2CCSC2)cc1
InChIInChI=1S/C14H21NOS/c1-3-16-13-6-4-11(5-7-13)14(15-2)12-8-9-17-10-12/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyIMKSJQZRJSHHJT-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
N-[(3,4-diethoxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105143428
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
[(4-ethoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232452
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
(3-ethoxyphenyl)-(thiolan-3-yl)methanamine
CID 105173284
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine (CID 105140814) is 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is CCOc1ccc(C(NC)C2CCSC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
The InChIKey is IMKSJQZRJSHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-16-13-6-4-11(5-7-13)14(15-2)12-8-9-17-10-12/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine?
1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine has a molecular weight of 251.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105140814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).