N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H20N2S — CID 112501735

IUPACN'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN)Cc1cccs1
InChIInChI=1S/C15H20N2S/c1-13(14-6-3-2-4-7-14)17(10-9-16)12-15-8-5-11-18-15/h2-8,11,13H,9-10,12,16H2,1H3
InChIKeyXEUNFCLKTZVGHW-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.27
Rot. Bonds6

About N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 112501735) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID112501735
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN)Cc1cccs1
InChIInChI=1S/C15H20N2S/c1-13(14-6-3-2-4-7-14)17(10-9-16)12-15-8-5-11-18-15/h2-8,11,13H,9-10,12,16H2,1H3
InChIKeyXEUNFCLKTZVGHW-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N'-(2-bromophenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 39449518

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 112501735) is N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(c1ccccc1)N(CCN)Cc1cccs1.
What is the InChIKey of N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is XEUNFCLKTZVGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-13(14-6-3-2-4-7-14)17(10-9-16)12-15-8-5-11-18-15/h2-8,11,13H,9-10,12,16H2,1H3.
What are the key properties of N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 112501735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).