4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline

C19H18N2O2S — CID 143876594

IUPAC4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline
SMILESCSc1ccc(Oc2ccc(N)c(OCc3ccccc3)c2)cn1
InChIInChI=1S/C19H18N2O2S/c1-24-19-10-8-16(12-21-19)23-15-7-9-17(20)18(11-15)22-13-14-5-3-2-4-6-14/h2-12H,13,20H2,1H3
InChIKeyPECLKVRBYGIROM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.76
Rot. Bonds6

About 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline

4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline (PubChem CID 143876594) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline.

Molecular Properties

Compound Name4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline
PubChem CID143876594
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline
SMILESCSc1ccc(Oc2ccc(N)c(OCc3ccccc3)c2)cn1
InChIInChI=1S/C19H18N2O2S/c1-24-19-10-8-16(12-21-19)23-15-7-9-17(20)18(11-15)22-13-14-5-3-2-4-6-14/h2-12H,13,20H2,1H3
InChIKeyPECLKVRBYGIROM-UHFFFAOYSA-N
XLogP4.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2-phenylmethoxyaniline
CID 66756754
4-(2-fluorophenyl)-2-phenylmethoxyaniline
CID 171921752
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
2,5-dimethoxy-3-phenylmethoxyaniline
CID 168869511
5-phenylmethoxypyrimidin-2-amine
CID 20748397
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
[4-(3-fluoro-4-phenylmethoxyphenoxy)phenyl]methanamine
CID 143961012
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-(3-phenylmethoxyphenoxy)aniline
CID 89036367
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
N-[(4-amino-3-phenylmethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 68839024

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline?
The IUPAC name of 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline (CID 143876594) is 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline.
What is the SMILES notation for 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline?
The canonical SMILES for 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline is CSc1ccc(Oc2ccc(N)c(OCc3ccccc3)c2)cn1.
What is the InChIKey of 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline?
The InChIKey is PECLKVRBYGIROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-24-19-10-8-16(12-21-19)23-15-7-9-17(20)18(11-15)22-13-14-5-3-2-4-6-14/h2-12H,13,20H2,1H3.
What are the key properties of 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline?
4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline has a molecular weight of 338.43 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylsulfanyl-3-pyridinyl)oxy]-2-phenylmethoxyaniline is sourced from PubChem (CID 143876594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).