ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen

C16H23NO2 — CID 145261840

IUPACethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
SMILESCC.COCc1ccc(Oc2cccc(N)c2)cc1.[H][H]
InChIInChI=1S/C14H15NO2.C2H6.H2/c1-16-10-11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14;1-2;/h2-9H,10,15H2,1H3;1-2H3;1H
InChIKeyGYDQSQSKGWQOGU-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.48
Rot. Bonds4

About ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen

ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen (PubChem CID 145261840) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
PubChem CID145261840
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
SMILESCC.COCc1ccc(Oc2cccc(N)c2)cc1.[H][H]
InChIInChI=1S/C14H15NO2.C2H6.H2/c1-16-10-11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14;1-2;/h2-9H,10,15H2,1H3;1-2H3;1H
InChIKeyGYDQSQSKGWQOGU-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
CID 141141650
4-(3-aminophenoxy)phenol;butane
CID 157302455
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 18363747
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen?
The IUPAC name of ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen (CID 145261840) is ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen.
What is the SMILES notation for ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen?
The canonical SMILES for ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen is CC.COCc1ccc(Oc2cccc(N)c2)cc1.[H][H].
What is the InChIKey of ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen?
The InChIKey is GYDQSQSKGWQOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C2H6.H2/c1-16-10-11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14;1-2;/h2-9H,10,15H2,1H3;1-2H3;1H.
What are the key properties of ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen?
ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen has a molecular weight of 261.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen is sourced from PubChem (CID 145261840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).