N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine

C15H25NO2S — CID 64652367

IUPACN-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)CCC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-10-16-15(12-19(17)11-5-2)13-6-8-14(18-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyMYVLYZCHKJBXBX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.89
Rot. Bonds9

About N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine

N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine (PubChem CID 64652367) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
PubChem CID64652367
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)CCC)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-10-16-15(12-19(17)11-5-2)13-6-8-14(18-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyMYVLYZCHKJBXBX-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
N-[1-(3-methoxyphenyl)-2-(2-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107759934
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879646
N-[2-(2-methylsulfonylethylsulfinyl)-1-phenylethyl]propan-1-amine
CID 64676485
N-[2-tert-butylsulfinyl-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 64653384
N-[2-butan-2-ylsulfinyl-1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64651289

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine (CID 64652367) is N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine is CCCNC(CS(=O)CCC)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine?
The InChIKey is MYVLYZCHKJBXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-10-16-15(12-19(17)11-5-2)13-6-8-14(18-3)9-7-13/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine?
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine is sourced from PubChem (CID 64652367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).