1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine

C15H25NOS — CID 107749022

IUPAC1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine
SMILESCCC(C)CSC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C15H25NOS/c1-5-11(2)10-18-15(12(3)16)13-6-8-14(17-4)9-7-13/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyQSDQMLBHASFOQI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.86
Rot. Bonds7

About 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine

1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine (PubChem CID 107749022) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine
PubChem CID107749022
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine
SMILESCCC(C)CSC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C15H25NOS/c1-5-11(2)10-18-15(12(3)16)13-6-8-14(17-4)9-7-13/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyQSDQMLBHASFOQI-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107748951
1-(2-methylbutylsulfanyl)-1-pyridin-3-ylpropan-2-amine
CID 107748954
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
6-(4-methoxyphenyl)heptan-3-amine
CID 83932078
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
3-[2-amino-1-(4-methoxyphenyl)propyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62882311
1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 55052965

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine (CID 107749022) is 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine is CCC(C)CSC(c1ccc(OC)cc1)C(C)N.
What is the InChIKey of 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine?
The InChIKey is QSDQMLBHASFOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-11(2)10-18-15(12(3)16)13-6-8-14(17-4)9-7-13/h6-9,11-12,15H,5,10,16H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine?
1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1-(2-methylbutylsulfanyl)propan-2-amine is sourced from PubChem (CID 107749022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).