1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine

C16H19NOS — CID 55017416

IUPAC1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCOc1ccc(SC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C16H19NOS/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,17H2,1-2H3
InChIKeyZFQAHVKKVKGDTG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.88
Rot. Bonds5

About 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine

1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine (PubChem CID 55017416) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
PubChem CID55017416
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
SMILESCOc1ccc(SC(c2ccccc2)C(C)N)cc1
InChIInChI=1S/C16H19NOS/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,17H2,1-2H3
InChIKeyZFQAHVKKVKGDTG-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
1-(4-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017283
1-(3-methylphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017009
1-(3-methylphenyl)-1-phenylsulfanylpropan-2-amine
CID 55020378
1-bromo-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
CID 134849370
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
3-[1-(4-methoxyphenyl)sulfanylethyl]aniline
CID 61261653
1-(4-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 62267854
1-(4-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-amine
CID 55052965
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine (CID 55017416) is 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine is COc1ccc(SC(c2ccccc2)C(C)N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine?
The InChIKey is ZFQAHVKKVKGDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12(17)16(13-6-4-3-5-7-13)19-15-10-8-14(18-2)9-11-15/h3-12,16H,17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine?
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine has a molecular weight of 273.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine is sourced from PubChem (CID 55017416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).