4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol

C17H21NO3 — CID 105057861

IUPAC4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)(CO)c2ccccc2)ccc1O
InChIInChI=1S/C17H21NO3/c1-17(12-19,14-6-4-3-5-7-14)18-11-13-8-9-15(20)16(10-13)21-2/h3-10,18-20H,11-12H2,1-2H3
InChIKeyADTPXHBIQDTACB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.40
Rot. Bonds6

About 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol

4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol (PubChem CID 105057861) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
PubChem CID105057861
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNC(C)(CO)c2ccccc2)ccc1O
InChIInChI=1S/C17H21NO3/c1-17(12-19,14-6-4-3-5-7-14)18-11-13-8-9-15(20)16(10-13)21-2/h3-10,18-20H,11-12H2,1-2H3
InChIKeyADTPXHBIQDTACB-UHFFFAOYSA-N
XLogP2.40
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]phenol
CID 105057826
4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43740703
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
2-phenyl-2-(pyrimidin-5-ylmethylamino)propan-1-ol
CID 115630532
4-[(2-iodoanilino)methyl]-2-methoxyphenol
CID 28978282
2-(benzylamino)-2-(6-methoxynaphthalen-2-yl)propan-1-ol
CID 113225435
2-methoxy-4-[(3-phenylpropylamino)methyl]phenol
CID 28646730
3-[(4-hydroxy-3-methoxyphenyl)methylamino]benzoic acid
CID 43217223
2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 43225616

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol (CID 105057861) is 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol is COc1cc(CNC(C)(CO)c2ccccc2)ccc1O.
What is the InChIKey of 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is ADTPXHBIQDTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-17(12-19,14-6-4-3-5-7-14)18-11-13-8-9-15(20)16(10-13)21-2/h3-10,18-20H,11-12H2,1-2H3.
What are the key properties of 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol?
4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxy-2-phenylpropan-2-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 105057861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).