N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine

C15H25NOS — CID 115716045

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
SMILESCOc1ccc(CC(C)NCCC(C)SC)cc1
InChIInChI=1S/C15H25NOS/c1-12(16-10-9-13(2)18-4)11-14-5-7-15(17-3)8-6-14/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyQJVIZSVUYJFCQI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.36
Rot. Bonds8

About N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine (PubChem CID 115716045) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
PubChem CID115716045
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine
SMILESCOc1ccc(CC(C)NCCC(C)SC)cc1
InChIInChI=1S/C15H25NOS/c1-12(16-10-9-13(2)18-4)11-14-5-7-15(17-3)8-6-14/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyQJVIZSVUYJFCQI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 103779248
1-(4-methoxyphenyl)-N-(1,1,2,2,2-pentadeuterioethyl)propan-2-amine
CID 71316455

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine (CID 115716045) is N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine is COc1ccc(CC(C)NCCC(C)SC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine?
The InChIKey is QJVIZSVUYJFCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-12(16-10-9-13(2)18-4)11-14-5-7-15(17-3)8-6-14/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylsulfanylbutan-1-amine is sourced from PubChem (CID 115716045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).