1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol

C15H25NO2 — CID 60633605

IUPAC1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)8-9-16-10-14(17)11-18-15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyMVNOBPGAPKCYKJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds8

About 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol

1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 60633605) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
PubChem CID60633605
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCCC(C)C
InChIInChI=1S/C15H25NO2/c1-12(2)8-9-16-10-14(17)11-18-15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3
InChIKeyMVNOBPGAPKCYKJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(4-methylpentan-2-ylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60902172
1-(2,5-dimethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745298
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol (CID 60633605) is 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCCC(C)C.
What is the InChIKey of 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is MVNOBPGAPKCYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)8-9-16-10-14(17)11-18-15-7-5-4-6-13(15)3/h4-7,12,14,16-17H,8-11H2,1-3H3.
What are the key properties of 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol?
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 60633605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).