1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine

C17H21NOS — CID 64620958

IUPAC1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)Sc1ccccc1
InChIInChI=1S/C17H21NOS/c1-13(20-16-7-5-4-6-8-16)17(18-2)14-9-11-15(19-3)12-10-14/h4-13,17-18H,1-3H3
InChIKeyLGSCTYKLCRKTSZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine

1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine (PubChem CID 64620958) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
PubChem CID64620958
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)Sc1ccccc1
InChIInChI=1S/C17H21NOS/c1-13(20-16-7-5-4-6-8-16)17(18-2)14-9-11-15(19-3)12-10-14/h4-13,17-18H,1-3H3
InChIKeyLGSCTYKLCRKTSZ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
N-methyl-1-phenyl-2-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 64619331
1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
CID 107763976
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
1-(4-methoxyphenyl)sulfanyl-1-phenylpropan-2-amine
CID 55017416
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine (CID 64620958) is 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine is CNC(c1ccc(OC)cc1)C(C)Sc1ccccc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine?
The InChIKey is LGSCTYKLCRKTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13(20-16-7-5-4-6-8-16)17(18-2)14-9-11-15(19-3)12-10-14/h4-13,17-18H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine?
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.14, 6 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-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 64620958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).