N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine

C14H18N2S — CID 62004095

IUPACN-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1ccsc1
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h3-8,10,14H,9,15H2,1-2H3
InChIKeyJNKQBBSKLHSUFJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.19
Rot. Bonds4

About N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine

N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 62004095) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
PubChem CID62004095
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
SMILESCc1ccccc1N(C)C(CN)c1ccsc1
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h3-8,10,14H,9,15H2,1-2H3
InChIKeyJNKQBBSKLHSUFJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62001648
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
N-methyl-N-(2-phenylethyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65483504
N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
CID 43184723
N-(2,4-dimethylphenyl)-N-methyl-1-phenylethane-1,2-diamine
CID 62003894
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
CID 134307108
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 65483111
3-(2-methylphenyl)-1-thiophen-3-ylpropan-1-ol
CID 105102698
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61444758
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62002247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine (CID 62004095) is N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine is Cc1ccccc1N(C)C(CN)c1ccsc1.
What is the InChIKey of N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is JNKQBBSKLHSUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h3-8,10,14H,9,15H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine?
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 246.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 62004095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).