N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine

C15H20N2S — CID 70397425

IUPACN,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
SMILESCNC(c1ccccc1)C(NC)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-11-9-10-18-15(11)14(17-3)13(16-2)12-7-5-4-6-8-12/h4-10,13-14,16-17H,1-3H3
InChIKeyCSVPIDKNQIKZRP-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.28
Rot. Bonds5

About N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine

N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine (PubChem CID 70397425) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
PubChem CID70397425
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine
SMILESCNC(c1ccccc1)C(NC)c1sccc1C
InChIInChI=1S/C15H20N2S/c1-11-9-10-18-15(11)14(17-3)13(16-2)12-7-5-4-6-8-12/h4-10,13-14,16-17H,1-3H3
InChIKeyCSVPIDKNQIKZRP-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(methylamino)-1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]acetaldehyde
CID 57285694
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N,2-dimethyl-1-(3-methylthiophen-2-yl)butane-1,4-diamine
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N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
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1-(3-ethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79989016
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
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N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
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2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
CID 63437840

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine (CID 70397425) is N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine is CNC(c1ccccc1)C(NC)c1sccc1C.
What is the InChIKey of N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine?
The InChIKey is CSVPIDKNQIKZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-9-10-18-15(11)14(17-3)13(16-2)12-7-5-4-6-8-12/h4-10,13-14,16-17H,1-3H3.
What are the key properties of N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine?
N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(3-methylthiophen-2-yl)-2-phenylethane-1,2-diamine is sourced from PubChem (CID 70397425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).