N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C17H31N3O — CID 63693996

IUPACN'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCOc1ccc(C(CN(C)CCCN(C)C)NC)cc1
InChIInChI=1S/C17H31N3O/c1-6-21-16-10-8-15(9-11-16)17(18-2)14-20(5)13-7-12-19(3)4/h8-11,17-18H,6-7,12-14H2,1-5H3
InChIKeyHRHSAQDGKVCPMZ-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.23
Rot. Bonds10

About N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63693996) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63693996
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCOc1ccc(C(CN(C)CCCN(C)C)NC)cc1
InChIInChI=1S/C17H31N3O/c1-6-21-16-10-8-15(9-11-16)17(18-2)14-20(5)13-7-12-19(3)4/h8-11,17-18H,6-7,12-14H2,1-5H3
InChIKeyHRHSAQDGKVCPMZ-UHFFFAOYSA-N
XLogP2.23
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82734630
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 63693627
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63465310

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63693996) is N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CCOc1ccc(C(CN(C)CCCN(C)C)NC)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is HRHSAQDGKVCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-21-16-10-8-15(9-11-16)17(18-2)14-20(5)13-7-12-19(3)4/h8-11,17-18H,6-7,12-14H2,1-5H3.
What are the key properties of N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 293.46 g/mol, XLogP of 2.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63693996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).