N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C15H20N2S — CID 28770521

IUPACN'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)Cc1cccs1
InChIInChI=1S/C15H20N2S/c1-13-6-2-3-8-15(13)17(10-5-9-16)12-14-7-4-11-18-14/h2-4,6-8,11H,5,9-10,12,16H2,1H3
InChIKeyDELFYEGPERRYRX-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.41
Rot. Bonds6

About N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 28770521) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID28770521
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCc1ccccc1N(CCCN)Cc1cccs1
InChIInChI=1S/C15H20N2S/c1-13-6-2-3-8-15(13)17(10-5-9-16)12-14-7-4-11-18-14/h2-4,6-8,11H,5,9-10,12,16H2,1H3
InChIKeyDELFYEGPERRYRX-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
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CID 39449518
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
N'-(3,3-dimethylbutyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 54958186
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-chloro-N-(2-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39380130
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
1-(2-methylphenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61453349

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 28770521) is N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is Cc1ccccc1N(CCCN)Cc1cccs1.
What is the InChIKey of N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is DELFYEGPERRYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-13-6-2-3-8-15(13)17(10-5-9-16)12-14-7-4-11-18-14/h2-4,6-8,11H,5,9-10,12,16H2,1H3.
What are the key properties of N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 28770521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).