N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C17H24N2OS — CID 54808541

IUPACN'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)COc1ccc(NCCNCc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-14(2)13-20-16-7-5-15(6-8-16)19-10-9-18-12-17-4-3-11-21-17/h3-8,11,14,18-19H,9-10,12-13H2,1-2H3
InChIKeyHNUFOTVTORIUBC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.98
Rot. Bonds9

About N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54808541) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID54808541
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(C)COc1ccc(NCCNCc2cccs2)cc1
InChIInChI=1S/C17H24N2OS/c1-14(2)13-20-16-7-5-15(6-8-16)19-10-9-18-12-17-4-3-11-21-17/h3-8,11,14,18-19H,9-10,12-13H2,1-2H3
InChIKeyHNUFOTVTORIUBC-UHFFFAOYSA-N
XLogP3.98
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
N'-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808025
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
4-hexoxy-N-(thiophen-2-ylmethyl)aniline
CID 54798776
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799152

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 54808541) is N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(C)COc1ccc(NCCNCc2cccs2)cc1.
What is the InChIKey of N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is HNUFOTVTORIUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14(2)13-20-16-7-5-15(6-8-16)19-10-9-18-12-17-4-3-11-21-17/h3-8,11,14,18-19H,9-10,12-13H2,1-2H3.
What are the key properties of N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 304.46 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54808541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).