(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine

C16H19NOS — CID 106848520

IUPAC(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
SMILESCCSc1ccc(C(N)c2ccccc2OC)cc1
InChIInChI=1S/C16H19NOS/c1-3-19-13-10-8-12(9-11-13)16(17)14-6-4-5-7-15(14)18-2/h4-11,16H,3,17H2,1-2H3
InChIKeyHFGCJYDWCUXERP-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.86
Rot. Bonds5

About (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine

(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine (PubChem CID 106848520) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
PubChem CID106848520
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
SMILESCCSc1ccc(C(N)c2ccccc2OC)cc1
InChIInChI=1S/C16H19NOS/c1-3-19-13-10-8-12(9-11-13)16(17)14-6-4-5-7-15(14)18-2/h4-11,16H,3,17H2,1-2H3
InChIKeyHFGCJYDWCUXERP-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
[4-(aminomethyl)phenyl]-(2-methoxyphenyl)methanamine
CID 116937090
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(4-ethylsulfanylphenyl)-isoquinolin-8-ylmethanamine
CID 106848509
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
CID 104659745
[(5-chloro-2-methoxyphenyl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850431

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine (CID 106848520) is (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine is CCSc1ccc(C(N)c2ccccc2OC)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine?
The InChIKey is HFGCJYDWCUXERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-3-19-13-10-8-12(9-11-13)16(17)14-6-4-5-7-15(14)18-2/h4-11,16H,3,17H2,1-2H3.
What are the key properties of (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine?
(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 106848520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).