4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol

C23H25NO2 — CID 112539060

IUPAC4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol
SMILESCc1ccccc1COc1ccc(CC(CN)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-17-4-2-3-5-20(17)16-26-23-12-6-18(7-13-23)14-21(15-24)19-8-10-22(25)11-9-19/h2-13,21,25H,14-16,24H2,1H3
InChIKeyRMZLVUFCGFTEAJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.56
Rot. Bonds7

About 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol

4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol (PubChem CID 112539060) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol
PubChem CID112539060
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol
SMILESCc1ccccc1COc1ccc(CC(CN)c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-17-4-2-3-5-20(17)16-26-23-12-6-18(7-13-23)14-21(15-24)19-8-10-22(25)11-9-19/h2-13,21,25H,14-16,24H2,1H3
InChIKeyRMZLVUFCGFTEAJ-UHFFFAOYSA-N
XLogP4.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-amine
CID 112538903
2-(aminomethyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-1-ol
CID 83977208
3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977582
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-[4-[1-amino-3-(4-heptoxyphenyl)propan-2-yl]phenyl]-3-(4-heptoxyphenyl)propan-1-amine
CID 19885129
3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 123243289
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
2-[4-[(2-methylphenyl)methoxy]phenyl]-4-oxobutanoic acid
CID 87985760

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol (CID 112539060) is 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol is Cc1ccccc1COc1ccc(CC(CN)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol?
The InChIKey is RMZLVUFCGFTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-17-4-2-3-5-20(17)16-26-23-12-6-18(7-13-23)14-21(15-24)19-8-10-22(25)11-9-19/h2-13,21,25H,14-16,24H2,1H3.
What are the key properties of 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol?
4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol has a molecular weight of 347.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 112539060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).