1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine

C18H23NOS — CID 3075837

IUPAC1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(Sc2ccccc2CC(C)N(C)C)cc1
InChIInChI=1S/C18H23NOS/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17/h5-12,14H,13H2,1-4H3
InChIKeyQCTWOWSXOONKIQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.34
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine

1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine (PubChem CID 3075837) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
PubChem CID3075837
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
SMILESCOc1ccc(Sc2ccccc2CC(C)N(C)C)cc1
InChIInChI=1S/C18H23NOS/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17/h5-12,14H,13H2,1-4H3
InChIKeyQCTWOWSXOONKIQ-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-vinyl}-piperidine
CID 9867847
N,N-dimethyl-1-(2-(4-(methylthio)phenoxy)phenyl)methanamine
CID 9900179
1-Cyclohexyl-4-{1-[4-(4-methoxy-phenylsulfanyl)-phenyl]-vinyl}-piperidine
CID 9953227
Benzenemethanamine, N,N-dimethyl-2-((3-methoxyphenyl)thio)-, hydrochloride
CID 3080282
1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfinyl)-phenyl]-ethyl}-piperidine
CID 10274019
1-cyclohexyl-4-[1-[4-[(R)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine
CID 71452756
1-cyclohexyl-4-[1-[4-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]ethenyl]piperidine
CID 71454563
Benzenemethanamine, 2-((3,4-dimethoxyphenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3080287
Benzenemethanamine, 2-((4-methoxyphenyl)thio)-N-methyl-, hydrochloride
CID 3080290
CID 11948753
CID 11948753
1-[2-(2-Methoxyphenyl)sulfanylphenyl]propan-2-amine;hydrate;hydrochloride
CID 15945636
(5S)-1-[(2S)-1-(4-methoxyphenyl)sulfanyl-3-phenylpropan-2-yl]-5-methylazepan-2-one
CID 42628514

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine (CID 3075837) is 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine is COc1ccc(Sc2ccccc2CC(C)N(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is QCTWOWSXOONKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14(19(2)3)13-15-7-5-6-8-18(15)21-17-11-9-16(20-4)10-12-17/h5-12,14H,13H2,1-4H3.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine?
1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 3075837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).