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

(2R)-2-(2-butyl-6-fluorophenoxy)propan-1-ol
CID 59778976
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
2-(2,6-diheptylphenoxy)propane-1-sulfonic acid
CID 101315517
2-[2,6-di(nonyl)phenoxy]propane-1-sulfonic acid
CID 101315826
3-(7-propylnaphthalen-1-yl)propan-1-amine
CID 19086002
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
3-[2-(2-methoxypropyl)phenyl]propan-1-amine
CID 115113273
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-(2,6-dioctylphenoxy)butane-1-sulfonic acid
CID 101315745
3-(7-ethoxynaphthalen-1-yl)propan-1-amine
CID 19085994

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).