N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine

C16H28N2O — CID 79653205

IUPACN'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(OCCN(C)CC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-13-6-7-14(2)15(10-13)19-9-8-18(5)12-16(3,4)11-17/h6-7,10H,8-9,11-12,17H2,1-5H3
InChIKeyRLBBWBZCSDCXTK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.60
Rot. Bonds7

About N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79653205) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79653205
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C)c(OCCN(C)CC(C)(C)CN)c1
InChIInChI=1S/C16H28N2O/c1-13-6-7-14(2)15(10-13)19-9-8-18(5)12-16(3,4)11-17/h6-7,10H,8-9,11-12,17H2,1-5H3
InChIKeyRLBBWBZCSDCXTK-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
CID 54855402
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
1-[2-(2,5-dimethylphenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 78963538
N'-[2-(3-bromophenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652362
(2,5-dimethylphenoxy)methanamine
CID 89376053
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
2-[2-(2,5-dimethylphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915450
2-(5,5-dimethoxy-4,4-dimethylpentoxy)-1,4-dimethylbenzene
CID 69082461
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851
3-[[2-(2,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 46990966

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79653205) is N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine is Cc1ccc(C)c(OCCN(C)CC(C)(C)CN)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is RLBBWBZCSDCXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-6-7-14(2)15(10-13)19-9-8-18(5)12-16(3,4)11-17/h6-7,10H,8-9,11-12,17H2,1-5H3.
What are the key properties of N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79653205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).