2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol

C15H25NO2 — CID 145498859

IUPAC2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
SMILESCCCc1cccc(CCCN)c1OC(C)CO
InChIInChI=1S/C15H25NO2/c1-3-6-13-7-4-8-14(9-5-10-16)15(13)18-12(2)11-17/h4,7-8,12,17H,3,5-6,9-11,16H2,1-2H3
InChIKeyFJLSOGCHOUEKKR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.29
Rot. Bonds8

About 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol

2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol (PubChem CID 145498859) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
PubChem CID145498859
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
SMILESCCCc1cccc(CCCN)c1OC(C)CO
InChIInChI=1S/C15H25NO2/c1-3-6-13-7-4-8-14(9-5-10-16)15(13)18-12(2)11-17/h4,7-8,12,17H,3,5-6,9-11,16H2,1-2H3
InChIKeyFJLSOGCHOUEKKR-UHFFFAOYSA-N
XLogP2.29
TPSA55.48 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Alprenolol
CID 2119
Mexiletine
CID 4178
Alprenolol, (S)-
CID 204665
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
(2R)-1-(2,6-dimethylphenoxy)propan-2-amine
CID 180621
(S)-Mexiletine
CID 185376
1-Amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
CID 10105079
1-(2-Allyl-phenoxy)-3-methylamino-propan-2-ol
CID 650108
1,2-Propanediol, 3-(o-ethylphenoxy)-
CID 98049
2-Propanol, 1-(isopropylamino)-3-(mesityloxy)-
CID 209600
1-Amino-3-(4-ethylphenoxy)propan-2-ol
CID 2770884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol?
The IUPAC name of 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol (CID 145498859) is 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol?
The canonical SMILES for 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol is CCCc1cccc(CCCN)c1OC(C)CO.
What is the InChIKey of 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol?
The InChIKey is FJLSOGCHOUEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-6-13-7-4-8-14(9-5-10-16)15(13)18-12(2)11-17/h4,7-8,12,17H,3,5-6,9-11,16H2,1-2H3.
What are the key properties of 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol?
2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol is sourced from PubChem (CID 145498859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).