1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol

C15H25NO2 — CID 43216

IUPAC1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol
SMILESCCCC1=CC=CC=C1OCC(CNC(C)C)O
InChIInChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
InChIKeyJVHCMYZFGCOCTD-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.40
Rot. Bonds8

About 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol

1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol (PubChem CID 43216) has the molecular formula C15H25NO2 and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
PubChem CID43216
Molecular FormulaC15H25NO2
Molecular Weight251.36 g/mol
Exact Mass251.19
IUPAC Name1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol
SMILESCCCC1=CC=CC=C1OCC(CNC(C)C)O
InChIInChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
InChIKeyJVHCMYZFGCOCTD-UHFFFAOYSA-N
XLogP3.40
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity209

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol?
The IUPAC name of 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol (CID 43216) is 1-(propan-2-ylamino)-3-(2-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol?
The canonical SMILES for 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol is CCCC1=CC=CC=C1OCC(CNC(C)C)O.
What is the InChIKey of 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol?
The InChIKey is JVHCMYZFGCOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3.
What are the key properties of 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol?
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol has a molecular weight of 251.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol is sourced from PubChem (CID 43216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).