1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine

C16H27NOS — CID 107763976

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)SCCC(C)C
InChIInChI=1S/C16H27NOS/c1-12(2)10-11-19-13(3)16(17-4)14-6-8-15(18-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyXDGRYNADBPVGFJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.12
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine

1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine (PubChem CID 107763976) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
PubChem CID107763976
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)SCCC(C)C
InChIInChI=1S/C16H27NOS/c1-12(2)10-11-19-13(3)16(17-4)14-6-8-15(18-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyXDGRYNADBPVGFJ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
3-[1-(methylamino)-1-(4-methylphenyl)propan-2-yl]sulfanylpropan-1-ol
CID 66126858
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[1-(4-methoxyphenyl)-2-(3-methylbutylsulfanyl)ethyl]propan-1-amine
CID 107764019
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine (CID 107763976) is 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine is CNC(c1ccc(OC)cc1)C(C)SCCC(C)C.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine?
The InChIKey is XDGRYNADBPVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-12(2)10-11-19-13(3)16(17-4)14-6-8-15(18-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine?
1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine is sourced from PubChem (CID 107763976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).