1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine

C14H23NOS — CID 55108619

IUPAC1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-9-15-13(11-17-3)10-12-7-5-6-8-14(12)16-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyJYBSHKOSYSFZPZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds8

About 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine

1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (PubChem CID 55108619) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
PubChem CID55108619
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-4-9-15-13(11-17-3)10-12-7-5-6-8-14(12)16-2/h5-8,13,15H,4,9-11H2,1-3H3
InChIKeyJYBSHKOSYSFZPZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (CID 55108619) is 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The InChIKey is JYBSHKOSYSFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-9-15-13(11-17-3)10-12-7-5-6-8-14(12)16-2/h5-8,13,15H,4,9-11H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 55108619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).