N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine

C15H26N2O2 — CID 60686693

IUPACN',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCCCOc1ccc(OCCNCCN(C)C)cc1
InChIInChI=1S/C15H26N2O2/c1-4-12-18-14-5-7-15(8-6-14)19-13-10-16-9-11-17(2)3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyXSFLOUMRMZUGGU-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.01
Rot. Bonds10

About N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 60686693) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
PubChem CID60686693
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
SMILESCCCOc1ccc(OCCNCCN(C)C)cc1
InChIInChI=1S/C15H26N2O2/c1-4-12-18-14-5-7-15(8-6-14)19-13-10-16-9-11-17(2)3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyXSFLOUMRMZUGGU-UHFFFAOYSA-N
XLogP2.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.01
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-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
CID 82097769
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2966257
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62597043
N-(2-phenoxyethyl)propan-1-amine
CID 6453152

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine (CID 60686693) is N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine is CCCOc1ccc(OCCNCCN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is XSFLOUMRMZUGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-12-18-14-5-7-15(8-6-14)19-13-10-16-9-11-17(2)3/h5-8,16H,4,9-13H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 60686693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).