1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine

C23H25NO2S — CID 1044030

IUPAC1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OCc1ccccc1
InChIInChI=1S/C23H25NO2S/c1-24(2)16-19-11-7-8-12-23(19)27-20-13-14-21(25-3)22(15-20)26-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeyFNMNBCHBNPVKCG-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.49
Rot. Bonds8

About 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine

1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 1044030) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID1044030
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(Sc2ccccc2CN(C)C)cc1OCc1ccccc1
InChIInChI=1S/C23H25NO2S/c1-24(2)16-19-11-7-8-12-23(19)27-20-13-14-21(25-3)22(15-20)26-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3
InChIKeyFNMNBCHBNPVKCG-UHFFFAOYSA-N
XLogP5.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
CID 53313584
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
CID 177043026
[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
CID 3080305
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 596799
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
butan-2-one;2,4-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
CID 143476442
1-(difluoromethyl)-3-fluoro-2-(3-methoxy-4-phenylmethoxyphenyl)sulfanylbenzene
CID 143476464
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 1044030) is 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is COc1ccc(Sc2ccccc2CN(C)C)cc1OCc1ccccc1.
What is the InChIKey of 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is FNMNBCHBNPVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-24(2)16-19-11-7-8-12-23(19)27-20-13-14-21(25-3)22(15-20)26-17-18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3.
What are the key properties of 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 379.53 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 1044030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).