4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol

C19H25NO3 — CID 110185141

IUPAC4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol
SMILESCOc1ccccc1CCCNC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C19H25NO3/c1-14(19(22)16-9-11-17(21)12-10-16)20-13-5-7-15-6-3-4-8-18(15)23-2/h3-4,6,8-12,14,19-22H,5,7,13H2,1-2H3
InChIKeyDYNREMLLSMVUDC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.05
Rot. Bonds8

About 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol

4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol (PubChem CID 110185141) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol
PubChem CID110185141
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol
SMILESCOc1ccccc1CCCNC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C19H25NO3/c1-14(19(22)16-9-11-17(21)12-10-16)20-13-5-7-15-6-3-4-8-18(15)23-2/h3-4,6,8-12,14,19-22H,5,7,13H2,1-2H3
InChIKeyDYNREMLLSMVUDC-UHFFFAOYSA-N
XLogP3.05
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
4-[1-hydroxy-2-[[5-(2-methoxyphenyl)-2-methylpentan-2-yl]amino]ethyl]phenol;sulfuric acid
CID 70565790
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
1-(3,4-dimethoxyphenyl)-3-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]propan-1-one
CID 110174775
2-(butylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 82313866
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol (CID 110185141) is 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol is COc1ccccc1CCCNC(C)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol?
The InChIKey is DYNREMLLSMVUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(19(22)16-9-11-17(21)12-10-16)20-13-5-7-15-6-3-4-8-18(15)23-2/h3-4,6,8-12,14,19-22H,5,7,13H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol?
4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol has a molecular weight of 315.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol is sourced from PubChem (CID 110185141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).