1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine

C15H26N2O3 — CID 61444733

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)c1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O3/c1-5-17(8-9-18-2)14(11-16)13-7-6-12(19-3)10-15(13)20-4/h6-7,10,14H,5,8-9,11,16H2,1-4H3
InChIKeyIFISISLSHNMYQI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine

1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 61444733) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID61444733
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCN(CCOC)C(CN)c1ccc(OC)cc1OC
InChIInChI=1S/C15H26N2O3/c1-5-17(8-9-18-2)14(11-16)13-7-6-12(19-3)10-15(13)20-4/h6-7,10,14H,5,8-9,11,16H2,1-4H3
InChIKeyIFISISLSHNMYQI-UHFFFAOYSA-N
XLogP1.67
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 93489442
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
N,N-bis(2-methoxyethyl)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 60709829
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446
N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 43268553
N-(cyclopropylmethyl)-1-(2,5-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 63954730
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560891
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 61444733) is 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine is CCN(CCOC)C(CN)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is IFISISLSHNMYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-17(8-9-18-2)14(11-16)13-7-6-12(19-3)10-15(13)20-4/h6-7,10,14H,5,8-9,11,16H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine?
1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 61444733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).