1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine

C15H25NOS — CID 107748724

IUPAC1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
SMILESCOc1ccccc1C(SC(C)C(C)C)C(C)N
InChIInChI=1S/C15H25NOS/c1-10(2)12(4)18-15(11(3)16)13-8-6-7-9-14(13)17-5/h6-12,15H,16H2,1-5H3
InChIKeySTOKXZLEPCNWLZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.86
Rot. Bonds6

About 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine

1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine (PubChem CID 107748724) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
PubChem CID107748724
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine
SMILESCOc1ccccc1C(SC(C)C(C)C)C(C)N
InChIInChI=1S/C15H25NOS/c1-10(2)12(4)18-15(11(3)16)13-8-6-7-9-14(13)17-5/h6-12,15H,16H2,1-5H3
InChIKeySTOKXZLEPCNWLZ-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 55021945
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
1-cyclopentylsulfanyl-1-(2-methoxyphenyl)propan-2-amine
CID 63115132
2-(2-methoxyphenyl)-4-methylpentan-3-amine
CID 79299473
1-(2-methoxyphenyl)-1-(2-methylsulfonylethylsulfanyl)propan-2-amine
CID 63660617
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
1-(2-methoxyphenyl)-1-(2-methyloxolan-3-yl)sulfanylpropan-2-amine
CID 107748324
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[(1R,2S)-1,2-bis(ethylsulfanyl)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 101140556
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
(1R)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanamine
CID 79403679

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine (CID 107748724) is 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine is COc1ccccc1C(SC(C)C(C)C)C(C)N.
What is the InChIKey of 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine?
The InChIKey is STOKXZLEPCNWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-10(2)12(4)18-15(11(3)16)13-8-6-7-9-14(13)17-5/h6-12,15H,16H2,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine?
1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-(3-methylbutan-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 107748724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).