N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine

C18H26N2OS — CID 4723300

IUPACN',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C18H26N2OS/c1-3-20(4-2)12-11-19-14-16-7-9-17(10-8-16)21-15-18-6-5-13-22-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeySKTNVDCPJXNJTI-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.76
Rot. Bonds10

About N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine (PubChem CID 4723300) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
PubChem CID4723300
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C18H26N2OS/c1-3-20(4-2)12-11-19-14-16-7-9-17(10-8-16)21-15-18-6-5-13-22-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeySKTNVDCPJXNJTI-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
2-(3,4-dimethoxyphenyl)-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715931
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N',N'-diethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]ethane-1,2-diamine
CID 54803547
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
2-pyridin-2-yloxy-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 132902601
3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
CID 17289507
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine (CID 4723300) is N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is SKTNVDCPJXNJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-3-20(4-2)12-11-19-14-16-7-9-17(10-8-16)21-15-18-6-5-13-22-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 318.49 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 4723300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).