1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine

C13H21NOS — CID 65128844

IUPAC1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1ccccc1OC
InChIInChI=1S/C13H21NOS/c1-3-8-16-10-12(14)9-11-6-4-5-7-13(11)15-2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyYOLIRXCYWOKWDR-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.71
Rot. Bonds7

About 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine

1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine (PubChem CID 65128844) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
PubChem CID65128844
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(N)Cc1ccccc1OC
InChIInChI=1S/C13H21NOS/c1-3-8-16-10-12(14)9-11-6-4-5-7-13(11)15-2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyYOLIRXCYWOKWDR-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-amine
CID 66070984
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
CID 79087707
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602325
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine (CID 65128844) is 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine is CCCSCC(N)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine?
The InChIKey is YOLIRXCYWOKWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-8-16-10-12(14)9-11-6-4-5-7-13(11)15-2/h4-7,12H,3,8-10,14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine?
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine has a molecular weight of 239.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65128844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).