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

C16H22N2S — CID 54808025

IUPACN'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNCc1cccs1
InChIInChI=1S/C16H22N2S/c1-13(2)15-7-3-4-8-16(15)18-10-9-17-12-14-6-5-11-19-14/h3-8,11,13,17-18H,9-10,12H2,1-2H3
InChIKeyFUKRHSKAKJHFID-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.07
Rot. Bonds7

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

N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54808025) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID54808025
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)c1ccccc1NCCNCc1cccs1
InChIInChI=1S/C16H22N2S/c1-13(2)15-7-3-4-8-16(15)18-10-9-17-12-14-6-5-11-19-14/h3-8,11,13,17-18H,9-10,12H2,1-2H3
InChIKeyFUKRHSKAKJHFID-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54806994
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N'-(3-chloro-2-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807938
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
2-propan-2-ylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 62579080
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-(thiophen-2-ylmethyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805900
2-(2-propan-2-ylanilino)-1-thiophen-2-ylethanol
CID 60896734
N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808541

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 54808025) is N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(C)c1ccccc1NCCNCc1cccs1.
What is the InChIKey of N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is FUKRHSKAKJHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-13(2)15-7-3-4-8-16(15)18-10-9-17-12-14-6-5-11-19-14/h3-8,11,13,17-18H,9-10,12H2,1-2H3.
What are the key properties of N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 274.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54808025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).