1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

C15H25NO3S — CID 115896106

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCC(C)S(C)=O)cc1OC
InChIInChI=1S/C15H25NO3S/c1-11(16-10-12(2)20(5)17)8-13-6-7-14(18-3)15(9-13)19-4/h6-7,9,11-12,16H,8,10H2,1-5H3
InChIKeyHDZQPRNUYHPHKJ-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.99
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (PubChem CID 115896106) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
PubChem CID115896106
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCC(C)S(C)=O)cc1OC
InChIInChI=1S/C15H25NO3S/c1-11(16-10-12(2)20(5)17)8-13-6-7-14(18-3)15(9-13)19-4/h6-7,9,11-12,16H,8,10H2,1-5H3
InChIKeyHDZQPRNUYHPHKJ-UHFFFAOYSA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylethyl)propan-2-amine
CID 115720737
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763989
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 115711694
1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 103911457
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
(1R)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-1-(4-methylphenyl)ethanol
CID 70002975
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 115728675
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]-3-phenoxypropan-2-ol;hydrochloride
CID 3059176
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 43201516

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (CID 115896106) is 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is COc1ccc(CC(C)NCC(C)S(C)=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The InChIKey is HDZQPRNUYHPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11(16-10-12(2)20(5)17)8-13-6-7-14(18-3)15(9-13)19-4/h6-7,9,11-12,16H,8,10H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is sourced from PubChem (CID 115896106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).