3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine

C15H23NOS — CID 80621656

IUPAC3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-16-14(15-4-3-11-18-15)10-7-12-5-8-13(17-2)9-6-12/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyHSKZVWICNWXQLI-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.11
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine

3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine (PubChem CID 80621656) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine
PubChem CID80621656
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)C1CCCS1
InChIInChI=1S/C15H23NOS/c1-16-14(15-4-3-11-18-15)10-7-12-5-8-13(17-2)9-6-12/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyHSKZVWICNWXQLI-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65445325
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(thian-2-yl)propan-1-amine
CID 80627138
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine (CID 80621656) is 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine is CNC(CCc1ccc(OC)cc1)C1CCCS1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine?
The InChIKey is HSKZVWICNWXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-16-14(15-4-3-11-18-15)10-7-12-5-8-13(17-2)9-6-12/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine?
3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-1-(thiolan-2-yl)propan-1-amine is sourced from PubChem (CID 80621656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).