N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine

C22H26N4OS — CID 141054033

IUPACN-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine
SMILESCSc1ccc(CNc2ncncn2)c(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H26N4OS/c1-22(2,3)18-8-5-16(6-9-18)13-27-20-11-19(28-4)10-7-17(20)12-24-21-25-14-23-15-26-21/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,25,26)
InChIKeyFFLXXYDTTQHHQI-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.08
Rot. Bonds7

About N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine

N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 141054033) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID141054033
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine
SMILESCSc1ccc(CNc2ncncn2)c(OCc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H26N4OS/c1-22(2,3)18-8-5-16(6-9-18)13-27-20-11-19(28-4)10-7-17(20)12-24-21-25-14-23-15-26-21/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,25,26)
InChIKeyFFLXXYDTTQHHQI-UHFFFAOYSA-N
XLogP5.08
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
5,11,17,23-tetratert-butyl-25,26,27,28-tetrakis[(4-methylsulfanylphenyl)methoxy]-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 139085786
N-methoxy-1-(2-methoxy-4-methylsulfanylphenyl)methanamine
CID 117304523
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
CID 60627116
ethyl 2-[4-[[4-[[5-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylmethoxyphenyl]methylamino]phenyl]acetate
CID 11181669
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
6-[(4-tert-butylphenyl)methoxy]-N-methylpyrimidin-4-amine
CID 126471056
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
CID 28981703
N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 24609110
7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
CID 177345971
2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
CID 28521783

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine (CID 141054033) is N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine is CSc1ccc(CNc2ncncn2)c(OCc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is FFLXXYDTTQHHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-22(2,3)18-8-5-16(6-9-18)13-27-20-11-19(28-4)10-7-17(20)12-24-21-25-14-23-15-26-21/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,25,26).
What are the key properties of N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine?
N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 394.54 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-tert-butylphenyl)methoxy]-4-methylsulfanylphenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 141054033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).