(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine

C16H19NS — CID 106848621

IUPAC(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NS/c1-3-18-15-9-7-13(8-10-15)16(17)14-6-4-5-12(2)11-14/h4-11,16H,3,17H2,1-2H3
InChIKeyMIYWBXVOAKOTII-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.16
Rot. Bonds4

About (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine

(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine (PubChem CID 106848621) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
PubChem CID106848621
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NS/c1-3-18-15-9-7-13(8-10-15)16(17)14-6-4-5-12(2)11-14/h4-11,16H,3,17H2,1-2H3
InChIKeyMIYWBXVOAKOTII-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylbutan-2-yl)phenyl]-(3-methylphenyl)methanamine
CID 66258782
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
(3-methylphenyl)-thiophen-3-ylmethanamine
CID 60819503
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
2-(4-ethylsulfanylphenyl)-2-(3-methylanilino)acetaldehyde
CID 145181341
(3-bromo-4-propoxyphenyl)-(3-methylphenyl)methanamine
CID 104657901
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine (CID 106848621) is (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine is CCSc1ccc(C(N)c2cccc(C)c2)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine?
The InChIKey is MIYWBXVOAKOTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-3-18-15-9-7-13(8-10-15)16(17)14-6-4-5-12(2)11-14/h4-11,16H,3,17H2,1-2H3.
What are the key properties of (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine?
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine has a molecular weight of 257.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 106848621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).