N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline

C16H19NOS — CID 43759194

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
SMILESCOc1ccc(CNc2ccc(SC)cc2)cc1C
InChIInChI=1S/C16H19NOS/c1-12-10-13(4-9-16(12)18-2)11-17-14-5-7-15(19-3)8-6-14/h4-10,17H,11H2,1-3H3
InChIKeyTVDBZIJLJZERPF-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.34
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline

N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline (PubChem CID 43759194) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
PubChem CID43759194
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
SMILESCOc1ccc(CNc2ccc(SC)cc2)cc1C
InChIInChI=1S/C16H19NOS/c1-12-10-13(4-9-16(12)18-2)11-17-14-5-7-15(19-3)8-6-14/h4-10,17H,11H2,1-3H3
InChIKeyTVDBZIJLJZERPF-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 61059029
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-butan-2-yl-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43780458
4-bromo-3-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82857502
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline (CID 43759194) is N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline is COc1ccc(CNc2ccc(SC)cc2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline?
The InChIKey is TVDBZIJLJZERPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-10-13(4-9-16(12)18-2)11-17-14-5-7-15(19-3)8-6-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline?
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline is sourced from PubChem (CID 43759194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).