4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline

C19H25NOS — CID 154621249

IUPAC4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(SC)cc2)CC(C)C)cc1
InChIInChI=1S/C19H25NOS/c1-15(2)13-20(17-7-9-18(21-3)10-8-17)14-16-5-11-19(22-4)12-6-16/h5-12,15H,13-14H2,1-4H3
InChIKeyXDEJIPOTXSUNKZ-UHFFFAOYSA-N
MW315.48 g/mol
LogP5.08
Rot. Bonds7

About 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline

4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 154621249) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID154621249
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCOc1ccc(N(Cc2ccc(SC)cc2)CC(C)C)cc1
InChIInChI=1S/C19H25NOS/c1-15(2)13-20(17-7-9-18(21-3)10-8-17)14-16-5-11-19(22-4)12-6-16/h5-12,15H,13-14H2,1-4H3
InChIKeyXDEJIPOTXSUNKZ-UHFFFAOYSA-N
XLogP5.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)aniline
CID 154621156
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-benzyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
CID 22036185
N-[(4-fluorophenyl)methyl]-4-methoxy-3-[2-[4-methoxy-3-[2-[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]propyl]-N-[(4-methylsulfanylphenyl)methyl]anilino]propyl]-N-propan-2-ylaniline
CID 155056876
4-methoxy-N,N-bis(methoxymethyl)aniline
CID 89468483
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
1-(N-benzyl-4-methoxyanilino)-3-(4-fluorophenoxy)propan-2-ol
CID 18204350
N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 154621249) is 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline is COc1ccc(N(Cc2ccc(SC)cc2)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is XDEJIPOTXSUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-15(2)13-20(17-7-9-18(21-3)10-8-17)14-16-5-11-19(22-4)12-6-16/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline?
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 315.48 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 154621249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).