3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol

C16H20N2O3 — CID 22026519

IUPAC3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
SMILESCOCCOc1ccc(N)cc1NCc1cccc(O)c1
InChIInChI=1S/C16H20N2O3/c1-20-7-8-21-16-6-5-13(17)10-15(16)18-11-12-3-2-4-14(19)9-12/h2-6,9-10,18-19H,7-8,11,17H2,1H3
InChIKeyFPPNPADHLNRAFF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.61
Rot. Bonds7

About 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol

3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol (PubChem CID 22026519) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
PubChem CID22026519
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
SMILESCOCCOc1ccc(N)cc1NCc1cccc(O)c1
InChIInChI=1S/C16H20N2O3/c1-20-7-8-21-16-6-5-13(17)10-15(16)18-11-12-3-2-4-14(19)9-12/h2-6,9-10,18-19H,7-8,11,17H2,1H3
InChIKeyFPPNPADHLNRAFF-UHFFFAOYSA-N
XLogP2.61
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518
3-[(2-propoxyanilino)methyl]phenol
CID 43682286
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
3-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865545
3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
CID 69381115
N-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenyl]acetamide
CID 22026500
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
N-[(3-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115211786
3-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43739022
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol?
The IUPAC name of 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol (CID 22026519) is 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol.
What is the SMILES notation for 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol?
The canonical SMILES for 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol is COCCOc1ccc(N)cc1NCc1cccc(O)c1.
What is the InChIKey of 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol?
The InChIKey is FPPNPADHLNRAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-7-8-21-16-6-5-13(17)10-15(16)18-11-12-3-2-4-14(19)9-12/h2-6,9-10,18-19H,7-8,11,17H2,1H3.
What are the key properties of 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol?
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol is sourced from PubChem (CID 22026519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).