[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol

C15H18N2O3 — CID 166842125

IUPAC[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol
SMILESCOc1ccc(Nc2ccc(C(O)OC)cc2N)cc1
InChIInChI=1S/C15H18N2O3/c1-19-12-6-4-11(5-7-12)17-14-8-3-10(9-13(14)16)15(18)20-2/h3-9,15,17-18H,16H2,1-2H3
InChIKeyAIUFGXHUFOWBDN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.66
Rot. Bonds5

About [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol

[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol (PubChem CID 166842125) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol.

Molecular Properties

Compound Name[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol
PubChem CID166842125
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol
SMILESCOc1ccc(Nc2ccc(C(O)OC)cc2N)cc1
InChIInChI=1S/C15H18N2O3/c1-19-12-6-4-11(5-7-12)17-14-8-3-10(9-13(14)16)15(18)20-2/h3-9,15,17-18H,16H2,1-2H3
InChIKeyAIUFGXHUFOWBDN-UHFFFAOYSA-N
XLogP2.66
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
(3-amino-4-fluorophenyl)-methoxymethanol
CID 123185481
[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
CID 126515280
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
1-N-(4-fluoro-3-methoxyphenyl)-4-methoxybenzene-1,2-diamine
CID 114837167
methyl 5-amino-2-(4-methoxyanilino)benzoate
CID 21438625
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
2-amino-3-fluoro-6-(4-methoxyanilino)benzoic acid
CID 83215965

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol?
The IUPAC name of [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol (CID 166842125) is [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol.
What is the SMILES notation for [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol?
The canonical SMILES for [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol is COc1ccc(Nc2ccc(C(O)OC)cc2N)cc1.
What is the InChIKey of [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol?
The InChIKey is AIUFGXHUFOWBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-6-4-11(5-7-12)17-14-8-3-10(9-13(14)16)15(18)20-2/h3-9,15,17-18H,16H2,1-2H3.
What are the key properties of [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol?
[3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol has a molecular weight of 274.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-methoxyanilino)phenyl]-methoxymethanol is sourced from PubChem (CID 166842125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).