N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine

C16H26N2O — CID 103340348

IUPACN'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCOC)C(CNCC)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-11-18(12-13-19-3)16(14-17-5-2)15-9-7-6-8-10-15/h4,6-10,16-17H,1,5,11-14H2,2-3H3
InChIKeyPQNUJTXTVDVTAL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.47
Rot. Bonds10

About N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine

N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 103340348) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
PubChem CID103340348
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCOC)C(CNCC)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-11-18(12-13-19-3)16(14-17-5-2)15-9-7-6-8-10-15/h4,6-10,16-17H,1,5,11-14H2,2-3H3
InChIKeyPQNUJTXTVDVTAL-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.47
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-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62430681
N-ethyl-N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339273
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine (CID 103340348) is N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine is C=CCN(CCOC)C(CNCC)c1ccccc1.
What is the InChIKey of N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is PQNUJTXTVDVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-11-18(12-13-19-3)16(14-17-5-2)15-9-7-6-8-10-15/h4,6-10,16-17H,1,5,11-14H2,2-3H3.
What are the key properties of N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine?
N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methoxyethyl)-1-phenyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 103340348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).