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

C17H30N2O — CID 79660570

IUPACN'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCOc1ccccc1C(C)N(CC)CC(C)(C)CN
InChIInChI=1S/C17H30N2O/c1-6-19(13-17(4,5)12-18)14(3)15-10-8-9-11-16(15)20-7-2/h8-11,14H,6-7,12-13,18H2,1-5H3
InChIKeyXEWRSDUHGJMCEU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds8

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

N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79660570) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79660570
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCOc1ccccc1C(C)N(CC)CC(C)(C)CN
InChIInChI=1S/C17H30N2O/c1-6-19(13-17(4,5)12-18)14(3)15-10-8-9-11-16(15)20-7-2/h8-11,14H,6-7,12-13,18H2,1-5H3
InChIKeyXEWRSDUHGJMCEU-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
1-N-ethyl-1-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 70921714
N'-[1-(2,5-difluorophenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79659867
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
3-acetamido-N-(3-amino-2,2-dimethylpropyl)-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 119654044
N'-[2-(2-ethoxyphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928708
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-[1-(2-ethoxyphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63998892
(2S)-2-N-tert-butyl-1-N-ethyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutane-1,2-diamine
CID 58313578
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731142
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79660570) is N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCOc1ccccc1C(C)N(CC)CC(C)(C)CN.
What is the InChIKey of N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is XEWRSDUHGJMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-19(13-17(4,5)12-18)14(3)15-10-8-9-11-16(15)20-7-2/h8-11,14H,6-7,12-13,18H2,1-5H3.
What are the key properties of N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-ethoxyphenyl)ethyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79660570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).