1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine

C15H26N2O2 — CID 61418501

IUPAC1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine
SMILESCOCCN(CCOC)CC(N)Cc1ccccc1
InChIInChI=1S/C15H26N2O2/c1-18-10-8-17(9-11-19-2)13-15(16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,16H2,1-2H3
InChIKeyWYXYPMLBMCSUSU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.15
Rot. Bonds10

About 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine

1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine (PubChem CID 61418501) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine
PubChem CID61418501
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine
SMILESCOCCN(CCOC)CC(N)Cc1ccccc1
InChIInChI=1S/C15H26N2O2/c1-18-10-8-17(9-11-19-2)13-15(16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,16H2,1-2H3
InChIKeyWYXYPMLBMCSUSU-UHFFFAOYSA-N
XLogP1.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine (CID 61418501) is 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine is COCCN(CCOC)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine?
The InChIKey is WYXYPMLBMCSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-18-10-8-17(9-11-19-2)13-15(16)12-14-6-4-3-5-7-14/h3-7,15H,8-13,16H2,1-2H3.
What are the key properties of 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine?
1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-methoxyethyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 61418501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).