N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine

C15H26N2O — CID 60686608

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cccc(C)c1OCCNCCCN(C)C
InChIInChI=1S/C15H26N2O/c1-13-7-5-8-14(2)15(13)18-12-10-16-9-6-11-17(3)4/h5,7-8,16H,6,9-12H2,1-4H3
InChIKeyTVLPXZASSLJYPD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 60686608) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID60686608
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cccc(C)c1OCCNCCCN(C)C
InChIInChI=1S/C15H26N2O/c1-13-7-5-8-14(2)15(13)18-12-10-16-9-6-11-17(3)4/h5,7-8,16H,6,9-12H2,1-4H3
InChIKeyTVLPXZASSLJYPD-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62582646
N',N'-dimethyl-N-[2-(2-methylsulfanylphenoxy)ethyl]propane-1,3-diamine
CID 55244631
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
4-[[3-(2,6-dimethylphenoxy)propylamino]methyl]phenol
CID 122574298
N-[2-(2,3,6-trimethylphenoxy)ethyl]butan-1-amine
CID 2262500
3-(2,6-dimethylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 122574255
2-(2,6-dimethylphenoxy)-N-(nitromethyl)ethanamine
CID 154298883
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 60686608) is N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine is Cc1cccc(C)c1OCCNCCCN(C)C.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is TVLPXZASSLJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-7-5-8-14(2)15(13)18-12-10-16-9-6-11-17(3)4/h5,7-8,16H,6,9-12H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 60686608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).