2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol

C15H25NO3 — CID 82314314

IUPAC2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(C(O)C(NCCCO)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)14(16-8-5-9-17)15(18)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,14-18H,5,8-9H2,1-3H3
InChIKeyOGFLHUGPGYCCEF-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.73
Rot. Bonds8

About 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol

2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 82314314) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID82314314
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1cccc(C(O)C(NCCCO)C(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)14(16-8-5-9-17)15(18)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,14-18H,5,8-9H2,1-3H3
InChIKeyOGFLHUGPGYCCEF-UHFFFAOYSA-N
XLogP1.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.73
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

ethyl (2R,3S)-3-(3-hydroxypropylamino)-2-(3-methoxyphenyl)butanoate
CID 125466926
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
2-(cyclopentylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol
CID 82314327
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol (CID 82314314) is 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol is COc1cccc(C(O)C(NCCCO)C(C)C)c1.
What is the InChIKey of 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is OGFLHUGPGYCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)14(16-8-5-9-17)15(18)12-6-4-7-13(10-12)19-3/h4,6-7,10-11,14-18H,5,8-9H2,1-3H3.
What are the key properties of 2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol?
2-(3-hydroxypropylamino)-1-(3-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.73, 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-(3-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82314314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).