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

C15H20N2S — CID 61437521

IUPACN'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1cccs1)CC(N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-2-17(11-14-9-6-10-18-14)12-15(16)13-7-4-3-5-8-13/h3-10,15H,2,11-12,16H2,1H3
InChIKeyDYWGKQOQDLSTKV-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.27
Rot. Bonds6

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

N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61437521) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61437521
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1cccs1)CC(N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-2-17(11-14-9-6-10-18-14)12-15(16)13-7-4-3-5-8-13/h3-10,15H,2,11-12,16H2,1H3
InChIKeyDYWGKQOQDLSTKV-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

N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
2,2-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)ethanamine
CID 63619196
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
1-chloro-3-[ethyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 112561384
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
2-[2-phenylpropyl(thiophen-2-ylmethyl)amino]ethanol
CID 43818907
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
CID 42837186

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61437521) is N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCN(Cc1cccs1)CC(N)c1ccccc1.
What is the InChIKey of N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DYWGKQOQDLSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-17(11-14-9-6-10-18-14)12-15(16)13-7-4-3-5-8-13/h3-10,15H,2,11-12,16H2,1H3.
What are the key properties of N'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-1-phenyl-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'-ethyl-1-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61437521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).