4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine

C15H25NO2S — CID 115720927

IUPAC4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCCS(C)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-13(16-11-4-12-19(3)17)5-6-14-7-9-15(18-2)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyLENFFPJBLFWVIB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.37
Rot. Bonds9

About 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine

4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine (PubChem CID 115720927) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
PubChem CID115720927
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCCCS(C)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-13(16-11-4-12-19(3)17)5-6-14-7-9-15(18-2)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyLENFFPJBLFWVIB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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

4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[4-(4-methoxyphenyl)butan-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 43754790
N-[3-(4-methoxyphenyl)propyl]butan-2-amine
CID 61023386
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
N-ethyl-2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanesulfonamide
CID 103901936
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine (CID 115720927) is 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine is COc1ccc(CCC(C)NCCCS(C)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine?
The InChIKey is LENFFPJBLFWVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-13(16-11-4-12-19(3)17)5-6-14-7-9-15(18-2)10-8-14/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine?
4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine is sourced from PubChem (CID 115720927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).