(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol

C15H17NO3 — CID 91678444

IUPAC(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C15H17NO3/c1-18-12-6-3-10(4-7-12)15(17)11-5-8-14(19-2)13(16)9-11/h3-9,15,17H,16H2,1-2H3
InChIKeyYHBSFSBUHVSVHH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.37
Rot. Bonds4

About (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol

(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol (PubChem CID 91678444) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
PubChem CID91678444
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(OC)c(N)c2)cc1
InChIInChI=1S/C15H17NO3/c1-18-12-6-3-10(4-7-12)15(17)11-5-8-14(19-2)13(16)9-11/h3-9,15,17H,16H2,1-2H3
InChIKeyYHBSFSBUHVSVHH-UHFFFAOYSA-N
XLogP2.37
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol?
The IUPAC name of (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol (CID 91678444) is (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(OC)c(N)c2)cc1.
What is the InChIKey of (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol?
The InChIKey is YHBSFSBUHVSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-12-6-3-10(4-7-12)15(17)11-5-8-14(19-2)13(16)9-11/h3-9,15,17H,16H2,1-2H3.
What are the key properties of (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol?
(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol has a molecular weight of 259.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 91678444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).