[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine

C16H19NO2S — CID 65338277

IUPAC[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCOc1cccc(SCc2ccc(OC)c(CN)c2)c1
InChIInChI=1S/C16H19NO2S/c1-18-14-4-3-5-15(9-14)20-11-12-6-7-16(19-2)13(8-12)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyFYMMLTSLBPOZDE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.45
Rot. Bonds6

About [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine

[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 65338277) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID65338277
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCOc1cccc(SCc2ccc(OC)c(CN)c2)c1
InChIInChI=1S/C16H19NO2S/c1-18-14-4-3-5-15(9-14)20-11-12-6-7-16(19-2)13(8-12)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyFYMMLTSLBPOZDE-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63883446
2-chloro-5-[(3-methoxyphenyl)sulfanylmethyl]aniline
CID 43350014
2-methoxy-4-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 106794194
[5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65340174
[2-methoxy-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65340371
2-chloro-4-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 62046322
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]aniline
CID 79134485
N-[[3-[(3-methoxyphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349415
2-(2-aminophenyl)-4-[(3-methoxyphenyl)sulfanylmethyl]benzamide
CID 66894427
2-methoxy-1-[(3-methoxyphenyl)sulfanylmethyl]-3-methylbenzene
CID 129214517

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine (CID 65338277) is [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine is COc1cccc(SCc2ccc(OC)c(CN)c2)c1.
What is the InChIKey of [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is FYMMLTSLBPOZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-18-14-4-3-5-15(9-14)20-11-12-6-7-16(19-2)13(8-12)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine?
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 65338277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).