N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine

C18H23NOS — CID 63804403

IUPACN-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Sc2ccccc2CNCC(C)C)cc1
InChIInChI=1S/C18H23NOS/c1-14(2)12-19-13-15-6-4-5-7-18(15)21-17-10-8-16(20-3)9-11-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyWJICRGOYFOKXMR-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.59
Rot. Bonds7

About N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63804403) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63804403
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(Sc2ccccc2CNCC(C)C)cc1
InChIInChI=1S/C18H23NOS/c1-14(2)12-19-13-15-6-4-5-7-18(15)21-17-10-8-16(20-3)9-11-17/h4-11,14,19H,12-13H2,1-3H3
InChIKeyWJICRGOYFOKXMR-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[2-(3-methylbut-3-enyl)phenyl]sulfanylbenzene
CID 71387554
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
2-[2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 113373979
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63808350
N-[3-(4-methoxyphenyl)sulfanylpropyl]-2-methylpropan-1-amine
CID 62584307
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805959
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine (CID 63804403) is N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine is COc1ccc(Sc2ccccc2CNCC(C)C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WJICRGOYFOKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-14(2)12-19-13-15-6-4-5-7-18(15)21-17-10-8-16(20-3)9-11-17/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63804403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).