N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

C16H25NOS — CID 105133765

IUPACN-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1CCSC1
InChIInChI=1S/C16H25NOS/c1-3-8-17-16(14-7-9-19-12-14)11-13-5-4-6-15(10-13)18-2/h4-6,10,14,16-17H,3,7-9,11-12H2,1-2H3
InChIKeyIUIVZTVOHKONDX-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.36
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine

N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (PubChem CID 105133765) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
PubChem CID105133765
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(OC)c1)C1CCSC1
InChIInChI=1S/C16H25NOS/c1-3-8-17-16(14-7-9-19-12-14)11-13-5-4-6-15(10-13)18-2/h4-6,10,14,16-17H,3,7-9,11-12H2,1-2H3
InChIKeyIUIVZTVOHKONDX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
N-[2-(2-methoxy-5-methylphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105118116
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
N-[2-(5-chloro-2-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105137354
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104
N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105171150
1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693031
1-cyclohexyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 61066272

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine (CID 105133765) is N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(OC)c1)C1CCSC1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
The InChIKey is IUIVZTVOHKONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-8-17-16(14-7-9-19-12-14)11-13-5-4-6-15(10-13)18-2/h4-6,10,14,16-17H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine?
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105133765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).