2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen

C16H30N2O2 — CID 143115345

IUPAC2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen
SMILESCCOCCN(C)CCOc1ccc(CCNC)cc1.[H][H]
InChIInChI=1S/C16H28N2O2.H2/c1-4-19-13-11-18(3)12-14-20-16-7-5-15(6-8-16)9-10-17-2;/h5-8,17H,4,9-14H2,1-3H3;1H
InChIKeyPRMWSHPKNBUIHF-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds11

About 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen

2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen (PubChem CID 143115345) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen
PubChem CID143115345
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen
SMILESCCOCCN(C)CCOc1ccc(CCNC)cc1.[H][H]
InChIInChI=1S/C16H28N2O2.H2/c1-4-19-13-11-18(3)12-14-20-16-7-5-15(6-8-16)9-10-17-2;/h5-8,17H,4,9-14H2,1-3H3;1H
InChIKeyPRMWSHPKNBUIHF-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 81056606
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
methyl 3-[4-[2-[dodecyl(methyl)amino]ethoxy]phenyl]propanoate
CID 22949959
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
ethane;molecular hydrogen;N-[2-(4-pentoxyphenyl)ethyl]propan-1-amine
CID 142390477
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen?
The IUPAC name of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen (CID 143115345) is 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen.
What is the SMILES notation for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen?
The canonical SMILES for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen is CCOCCN(C)CCOc1ccc(CCNC)cc1.[H][H].
What is the InChIKey of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen?
The InChIKey is PRMWSHPKNBUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.H2/c1-4-19-13-11-18(3)12-14-20-16-7-5-15(6-8-16)9-10-17-2;/h5-8,17H,4,9-14H2,1-3H3;1H.
What are the key properties of 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen?
2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen has a molecular weight of 282.43 g/mol, XLogP of 2.04, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-ethoxyethyl(methyl)amino]ethoxy]phenyl]-N-methylethanamine;molecular hydrogen is sourced from PubChem (CID 143115345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).