1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

C16H27NO3 — CID 115585686

IUPAC1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCc1cccc(OCC(O)CNCCOCC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-13(2)11-19-8-7-17-10-15(18)12-20-16-6-4-5-14(3)9-16/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3
InChIKeyKWLUMHJZVSWHSV-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.00
Rot. Bonds10

About 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (PubChem CID 115585686) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
PubChem CID115585686
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCc1cccc(OCC(O)CNCCOCC(C)C)c1
InChIInChI=1S/C16H27NO3/c1-13(2)11-19-8-7-17-10-15(18)12-20-16-6-4-5-14(3)9-16/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3
InChIKeyKWLUMHJZVSWHSV-UHFFFAOYSA-N
XLogP2.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
1-(3-methylphenoxy)-3-(2-prop-2-ynylsulfanylethylamino)propan-2-ol
CID 106428821
1-(3-methylphenoxy)-3-(3-phenylpropylamino)propan-2-ol;hydrochloride
CID 117067234
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(3-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632284
3-ethyl-1-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]pentan-2-ol
CID 106285812
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (CID 115585686) is 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is Cc1cccc(OCC(O)CNCCOCC(C)C)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The InChIKey is KWLUMHJZVSWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)11-19-8-7-17-10-15(18)12-20-16-6-4-5-14(3)9-16/h4-6,9,13,15,17-18H,7-8,10-12H2,1-3H3.
What are the key properties of 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 115585686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).