4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol

C18H24N2O3 — CID 174803609

IUPAC4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
SMILESCOc1ccc(CC(C)NCC(N)(O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(11-14-3-9-17(23-2)10-4-14)20-12-18(19,22)15-5-7-16(21)8-6-15/h3-10,13,20-22H,11-12,19H2,1-2H3
InChIKeyVAGRYFBMABACIM-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.73
Rot. Bonds7

About 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol

4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol (PubChem CID 174803609) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
PubChem CID174803609
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
SMILESCOc1ccc(CC(C)NCC(N)(O)c2ccc(O)cc2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(11-14-3-9-17(23-2)10-4-14)20-12-18(19,22)15-5-7-16(21)8-6-15/h3-10,13,20-22H,11-12,19H2,1-2H3
InChIKeyVAGRYFBMABACIM-UHFFFAOYSA-N
XLogP1.73
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
CID 106145228
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
N-[1-[1-(4-methoxyphenyl)propan-2-ylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859125
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol (CID 174803609) is 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol is COc1ccc(CC(C)NCC(N)(O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol?
The InChIKey is VAGRYFBMABACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(11-14-3-9-17(23-2)10-4-14)20-12-18(19,22)15-5-7-16(21)8-6-15/h3-10,13,20-22H,11-12,19H2,1-2H3.
What are the key properties of 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol?
4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol has a molecular weight of 316.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 174803609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).