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

C14H23NOS — CID 62693031

IUPAC1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NOS/c1-4-8-15-13(11-17-3)9-12-6-5-7-14(10-12)16-2/h5-7,10,13,15H,4,8-9,11H2,1-3H3
InChIKeyLCRTUGXINAXNGK-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds8

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

1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (PubChem CID 62693031) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
PubChem CID62693031
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSC)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NOS/c1-4-8-15-13(11-17-3)9-12-6-5-7-14(10-12)16-2/h5-7,10,13,15H,4,8-9,11H2,1-3H3
InChIKeyLCRTUGXINAXNGK-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-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105133867
1-(3-methoxyphenyl)-4-methylidene-N-propylhexan-2-amine
CID 66038028
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-methoxyphenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824474
1-(3-methoxyphenyl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105133671
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
N-[2-(3-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 66475186
N-[2-(3-methoxyphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62601372
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
3-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylpentan-2-amine
CID 116758375
1-cyclopentylsulfanyl-N-ethyl-3-(3-methoxyphenyl)propan-2-amine
CID 65139316

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine (CID 62693031) is 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is CCCNC(CSC)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
The InChIKey is LCRTUGXINAXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-8-15-13(11-17-3)9-12-6-5-7-14(10-12)16-2/h5-7,10,13,15H,4,8-9,11H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine?
1-(3-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-(3-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 62693031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).