2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol

C16H27NO3 — CID 82315545

IUPAC2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1C(O)C(C)NCCCO
InChIInChI=1S/C16H27NO3/c1-11(2)13-6-7-15(20-4)14(10-13)16(19)12(3)17-8-5-9-18/h6-7,10-12,16-19H,5,8-9H2,1-4H3
InChIKeyZQABYVFTOXIRFF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.21
Rot. Bonds8

About 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol

2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol (PubChem CID 82315545) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
PubChem CID82315545
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(C(C)C)cc1C(O)C(C)NCCCO
InChIInChI=1S/C16H27NO3/c1-11(2)13-6-7-15(20-4)14(10-13)16(19)12(3)17-8-5-9-18/h6-7,10-12,16-19H,5,8-9H2,1-4H3
InChIKeyZQABYVFTOXIRFF-UHFFFAOYSA-N
XLogP2.21
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.21
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

2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
1-(2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)propan-1-ol
CID 82314733
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
(2-methoxy-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954637
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
1-(2,4-dimethylphenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82313434
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
1-(3,4-dimethoxyphenyl)-2-(2-fluoroethylamino)propan-1-ol
CID 155431279
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
4-[1-hydroxy-2-(3-hydroxypropylamino)propyl]-2-methylphenol
CID 110183946

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol (CID 82315545) is 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol is COc1ccc(C(C)C)cc1C(O)C(C)NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
The InChIKey is ZQABYVFTOXIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)13-6-7-15(20-4)14(10-13)16(19)12(3)17-8-5-9-18/h6-7,10-12,16-19H,5,8-9H2,1-4H3.
What are the key properties of 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol?
2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-1-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 82315545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).