4-[(4-aminophenoxy)methyl]phenol;ethane

C15H19NO2 — CID 176977170

IUPAC4-[(4-aminophenoxy)methyl]phenol;ethane
SMILESCC.Nc1ccc(OCc2ccc(O)cc2)cc1
InChIInChI=1S/C13H13NO2.C2H6/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;1-2/h1-8,15H,9,14H2;1-2H3
InChIKeyCHGVPMWPKGBNDR-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.58
Rot. Bonds3

About 4-[(4-aminophenoxy)methyl]phenol;ethane

4-[(4-aminophenoxy)methyl]phenol;ethane (PubChem CID 176977170) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(4-aminophenoxy)methyl]phenol;ethane.

Molecular Properties

Compound Name4-[(4-aminophenoxy)methyl]phenol;ethane
PubChem CID176977170
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-[(4-aminophenoxy)methyl]phenol;ethane
SMILESCC.Nc1ccc(OCc2ccc(O)cc2)cc1
InChIInChI=1S/C13H13NO2.C2H6/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;1-2/h1-8,15H,9,14H2;1-2H3
InChIKeyCHGVPMWPKGBNDR-UHFFFAOYSA-N
XLogP3.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid
CID 145159200
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
4-(phenoxymethyl)aniline
CID 12712561
4-phenylmethoxyaniline
CID 159966727
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenoxy)methyl]phenol;ethane?
The IUPAC name of 4-[(4-aminophenoxy)methyl]phenol;ethane (CID 176977170) is 4-[(4-aminophenoxy)methyl]phenol;ethane.
What is the SMILES notation for 4-[(4-aminophenoxy)methyl]phenol;ethane?
The canonical SMILES for 4-[(4-aminophenoxy)methyl]phenol;ethane is CC.Nc1ccc(OCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-aminophenoxy)methyl]phenol;ethane?
The InChIKey is CHGVPMWPKGBNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C2H6/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10;1-2/h1-8,15H,9,14H2;1-2H3.
What are the key properties of 4-[(4-aminophenoxy)methyl]phenol;ethane?
4-[(4-aminophenoxy)methyl]phenol;ethane has a molecular weight of 245.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenoxy)methyl]phenol;ethane is sourced from PubChem (CID 176977170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).