2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine

C23H25NO2S — CID 71339520

IUPAC2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
SMILESCOc1ccc(C(SCCN)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO2S/c1-25-21-12-8-19(9-13-21)23(27-17-16-24,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15H,16-17,24H2,1-2H3
InChIKeyPUEHMVOKAVXBRI-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.69
Rot. Bonds8

About 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine

2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine (PubChem CID 71339520) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
PubChem CID71339520
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine
SMILESCOc1ccc(C(SCCN)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H25NO2S/c1-25-21-12-8-19(9-13-21)23(27-17-16-24,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15H,16-17,24H2,1-2H3
InChIKeyPUEHMVOKAVXBRI-UHFFFAOYSA-N
XLogP4.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanal
CID 143030464
2-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylethanamine
CID 71583036
1-methoxy-4-[[(4-methoxyphenyl)-diphenylmethyl]sulfanyloxysulfanyl-diphenylmethyl]benzene
CID 66864456
(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanamide
CID 71170093
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
methyl (2R)-2-acetamido-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoate
CID 25014751
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide
CID 71717524
3-[2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethyl-di(propan-2-yl)phosphorylamino]propanenitrile
CID 170946196

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine?
The IUPAC name of 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine (CID 71339520) is 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine.
What is the SMILES notation for 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine?
The canonical SMILES for 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine is COc1ccc(C(SCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine?
The InChIKey is PUEHMVOKAVXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-25-21-12-8-19(9-13-21)23(27-17-16-24,18-6-4-3-5-7-18)20-10-14-22(26-2)15-11-20/h3-15H,16-17,24H2,1-2H3.
What are the key properties of 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine?
2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine has a molecular weight of 379.53 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-methoxyphenyl)-phenylmethyl]sulfanylethanamine is sourced from PubChem (CID 71339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).