ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

C31H46N2O4 — CID 142266126

IUPACethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC.CCCc1ccccc1OCCOc1ccccc1OCC.CNc1ccccc1NCCOC
InChIInChI=1S/C19H24O3.C10H16N2O.C2H6/c1-3-9-16-10-5-6-11-17(16)21-14-15-22-19-13-8-7-12-18(19)20-4-2;1-11-9-5-3-4-6-10(9)12-7-8-13-2;1-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3;3-6,11-12H,7-8H2,1-2H3;1-2H3
InChIKeyVBSQJACNSLFQIX-UHFFFAOYSA-N
MW510.72 g/mol
LogP7.31
Rot. Bonds14

About ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine

ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 142266126) has the molecular formula C31H46N2O4 and a molecular weight of 510.72 g/mol. Its IUPAC name is ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Nameethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
PubChem CID142266126
Molecular FormulaC31H46N2O4
Molecular Weight510.72 g/mol
Exact Mass510.35
IUPAC Nameethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
SMILESCC.CCCc1ccccc1OCCOc1ccccc1OCC.CNc1ccccc1NCCOC
InChIInChI=1S/C19H24O3.C10H16N2O.C2H6/c1-3-9-16-10-5-6-11-17(16)21-14-15-22-19-13-8-7-12-18(19)20-4-2;1-11-9-5-3-4-6-10(9)12-7-8-13-2;1-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3;3-6,11-12H,7-8H2,1-2H3;1-2H3
InChIKeyVBSQJACNSLFQIX-UHFFFAOYSA-N
XLogP7.31
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659
2-(2-ethoxyphenoxy)-N-(2-methoxyethoxy)ethanamine
CID 82723021
1-decyl-2-ethoxybenzene
CID 175243335
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
2-ethoxy-N-nonylaniline
CID 43129179
ethane;N-(2-methoxyethyl)-4-methyl-2-propylaniline
CID 153334759
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
5-bromo-6-methyl-N-[2-(2-propylphenoxy)ethyl]pyrimidin-4-amine
CID 13075408

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine (CID 142266126) is ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is CC.CCCc1ccccc1OCCOc1ccccc1OCC.CNc1ccccc1NCCOC.
What is the InChIKey of ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is VBSQJACNSLFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3.C10H16N2O.C2H6/c1-3-9-16-10-5-6-11-17(16)21-14-15-22-19-13-8-7-12-18(19)20-4-2;1-11-9-5-3-4-6-10(9)12-7-8-13-2;1-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3;3-6,11-12H,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine?
ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 510.72 g/mol, XLogP of 7.31, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-2-[2-(2-propylphenoxy)ethoxy]benzene;2-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 142266126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).