N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

C16H29ClN2O2 — CID 119928708

IUPACN'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCCOc1ccccc1OCCN(C)CC(C)(C)CN.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-5-19-14-8-6-7-9-15(14)20-11-10-18(4)13-16(2,3)12-17;/h6-9H,5,10-13,17H2,1-4H3;1H
InChIKeyMBYQVFNKGDYSOH-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.80
Rot. Bonds9

About N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (PubChem CID 119928708) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
PubChem CID119928708
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC NameN'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCCOc1ccccc1OCCN(C)CC(C)(C)CN.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-5-19-14-8-6-7-9-15(14)20-11-10-18(4)13-16(2,3)12-17;/h6-9H,5,10-13,17H2,1-4H3;1H
InChIKeyMBYQVFNKGDYSOH-UHFFFAOYSA-N
XLogP2.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
N'-[2-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205
3-bromo-N-[2-(2-ethoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 114230687
N'-[2-(3-bromophenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79652362
N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
CID 119928677
N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 119991807
N-(3-amino-2,2-dimethylpropyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide;dihydrochloride
CID 119653975
N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660570
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (CID 119928708) is N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is CCOc1ccccc1OCCN(C)CC(C)(C)CN.Cl.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is MBYQVFNKGDYSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-5-19-14-8-6-7-9-15(14)20-11-10-18(4)13-16(2,3)12-17;/h6-9H,5,10-13,17H2,1-4H3;1H.
What are the key properties of N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).