1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine

C15H24N2O — CID 103339332

IUPAC1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)CC(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-9-17(10-11-18-2)13-15(16)12-14-7-5-4-6-8-14/h3-8,15H,1,9-13,16H2,2H3
InChIKeyVZTQYXJAIXBUDH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.69
Rot. Bonds9

About 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine

1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 103339332) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID103339332
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCN(CCOC)CC(N)Cc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-9-17(10-11-18-2)13-15(16)12-14-7-5-4-6-8-14/h3-8,15H,1,9-13,16H2,2H3
InChIKeyVZTQYXJAIXBUDH-UHFFFAOYSA-N
XLogP1.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-methoxyethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 103339269
2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
CID 5325992
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
5-methoxy-1-phenylpentan-2-amine
CID 62608693
1-[benzyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42836990
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
(2S)-1-N,1-N-dioctyl-3-phenylpropane-1,2-diamine
CID 102052520
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476
N-(2-methoxyethyl)-N-[2-[3-(methylaminomethyl)phenoxy]ethyl]prop-2-en-1-amine
CID 103340400

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine (CID 103339332) is 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCN(CCOC)CC(N)Cc1ccccc1.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is VZTQYXJAIXBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-9-17(10-11-18-2)13-15(16)12-14-7-5-4-6-8-14/h3-8,15H,1,9-13,16H2,2H3.
What are the key properties of 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine?
1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 103339332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).