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

C15H25NO2S — CID 115896171

IUPAC4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC(C)S(C)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-12(16-11-13(2)19(4)17)5-6-14-7-9-15(18-3)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyQXIPWUIXIKQHEE-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.37
Rot. Bonds8

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

4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine (PubChem CID 115896171) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
PubChem CID115896171
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCC(C)S(C)=O)cc1
InChIInChI=1S/C15H25NO2S/c1-12(16-11-13(2)19(4)17)5-6-14-7-9-15(18-3)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyQXIPWUIXIKQHEE-UHFFFAOYSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methylsulfinylpropylamino)butyl]phenol
CID 113470908
4-(4-methoxyphenyl)-N-(3-methylsulfinylpropyl)butan-2-amine
CID 115720927
1-[4-(4-methoxyphenyl)butan-2-ylamino]pentan-2-ol
CID 115719297
(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
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 115896106
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[4-(4-methoxyphenyl)butan-2-yl]-2,5-dimethylpyrrol-1-amine
CID 79090719
1-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)butan-2-ylamino]ethanol
CID 71751093
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine (CID 115896171) is 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine is COc1ccc(CCC(C)NCC(C)S(C)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine?
The InChIKey is QXIPWUIXIKQHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(16-11-13(2)19(4)17)5-6-14-7-9-15(18-3)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine?
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine is sourced from PubChem (CID 115896171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).