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Methaphenilene

C15H20N2S — CID 10306

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLDYJXVUOVPVZKA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.32
Rot. Bonds6

About Methaphenilene

Methaphenilene (PubChem CID 10306) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameMethaphenilene
PubChem CID10306
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLDYJXVUOVPVZKA-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thenalidine
CID 27901
1-Phenyl-4-(2-thienylsulfonyl)piperazine
CID 738300
N-[[5-(anilinomethyl)thiophen-2-yl]methyl]aniline
CID 155557705
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
1-(2-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763194
1-Phenyl-4-(thiophen-2-ylmethyl)piperazine
CID 763343
1-(4-Fluorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763625
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
1,3-Diphenyl-2-(thiophen-2-yl)imidazolidine
CID 830758
1-Phenyl-4-(thiolan-3-yl)piperazine
CID 2846707

Frequently Asked Questions

What is the IUPAC name of Methaphenilene?
The IUPAC name of Methaphenilene (CID 10306) is N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for Methaphenilene?
The canonical SMILES for Methaphenilene is CN(C)CCN(Cc1cccs1)c1ccccc1.
What is the InChIKey of Methaphenilene?
The InChIKey is LDYJXVUOVPVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of Methaphenilene?
Methaphenilene has a molecular weight of 260.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Methaphenilene is sourced from PubChem (CID 10306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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