4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline

C15H18N2S — CID 116952045

IUPAC4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1ccc(SC)cc1
InChIInChI=1S/C15H18N2S/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,16H2,1-2H3
InChIKeyRJOWRPSVNYEJBK-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.30
Rot. Bonds4

About 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline

4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 116952045) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
PubChem CID116952045
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1ccc(SC)cc1
InChIInChI=1S/C15H18N2S/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,16H2,1-2H3
InChIKeyRJOWRPSVNYEJBK-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
CID 90212370
N-methyl-1-[4-(2-methylpropyl)phenyl]-1-(4-methylsulfanylphenyl)methanamine
CID 79212501
N-methyl-1-(3-methylphenyl)-1-(4-methylsulfanylphenyl)methanamine
CID 115790405
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576
1-(3,4-diethylphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 115482274
1-(2,6-dimethoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105052091
[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853933
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 116961519
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline (CID 116952045) is 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline is CNC(c1ccc(N)cc1)c1ccc(SC)cc1.
What is the InChIKey of 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is RJOWRPSVNYEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-17-15(11-3-7-13(16)8-4-11)12-5-9-14(18-2)10-6-12/h3-10,15,17H,16H2,1-2H3.
What are the key properties of 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline?
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 258.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 116952045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).