4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid

C22H26N2O3 — CID 145159200

IUPAC4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid
SMILESCC.Nc1ccc(OCc2ccc(-c3ccc(N)cc3)cc2)cc1.O=CO
InChIInChI=1S/C19H18N2O.C2H6.CH2O2/c20-17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-22-19-11-9-18(21)10-12-19;1-2;2-1-3/h1-12H,13,20-21H2;1-2H3;1H,(H,2,3)
InChIKeySKIDSNKHIZUAEA-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.82
Rot. Bonds4

About 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid

4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid (PubChem CID 145159200) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid.

Molecular Properties

Compound Name4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid
PubChem CID145159200
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid
SMILESCC.Nc1ccc(OCc2ccc(-c3ccc(N)cc3)cc2)cc1.O=CO
InChIInChI=1S/C19H18N2O.C2H6.CH2O2/c20-17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-22-19-11-9-18(21)10-12-19;1-2;2-1-3/h1-12H,13,20-21H2;1-2H3;1H,(H,2,3)
InChIKeySKIDSNKHIZUAEA-UHFFFAOYSA-N
XLogP4.82
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
4-[(4-methylsulfanylphenyl)methoxy]aniline
CID 54908756
4-(phenoxymethyl)aniline
CID 12712561
4-phenylmethoxyaniline
CID 159966727
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-[[4-(4-ethylphenyl)phenoxy]methyl]benzene-1,4-diamine
CID 58289288

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid?
The IUPAC name of 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid (CID 145159200) is 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid.
What is the SMILES notation for 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid?
The canonical SMILES for 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid is CC.Nc1ccc(OCc2ccc(-c3ccc(N)cc3)cc2)cc1.O=CO.
What is the InChIKey of 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid?
The InChIKey is SKIDSNKHIZUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.C2H6.CH2O2/c20-17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-22-19-11-9-18(21)10-12-19;1-2;2-1-3/h1-12H,13,20-21H2;1-2H3;1H,(H,2,3).
What are the key properties of 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid?
4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid has a molecular weight of 366.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-aminophenoxy)methyl]phenyl]aniline;ethane;formic acid is sourced from PubChem (CID 145159200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).