3-amino-2-(4-propylphenoxy)butan-1-ol

C13H21NO2 — CID 64897888

IUPAC3-amino-2-(4-propylphenoxy)butan-1-ol
SMILESCCCc1ccc(OC(CO)C(C)N)cc1
InChIInChI=1S/C13H21NO2/c1-3-4-11-5-7-12(8-6-11)16-13(9-15)10(2)14/h5-8,10,13,15H,3-4,9,14H2,1-2H3
InChIKeyBFPDZIZTAVQREM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-2-(4-propylphenoxy)butan-1-ol

3-amino-2-(4-propylphenoxy)butan-1-ol (PubChem CID 64897888) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2-(4-propylphenoxy)butan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-propylphenoxy)butan-1-ol
PubChem CID64897888
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-amino-2-(4-propylphenoxy)butan-1-ol
SMILESCCCc1ccc(OC(CO)C(C)N)cc1
InChIInChI=1S/C13H21NO2/c1-3-4-11-5-7-12(8-6-11)16-13(9-15)10(2)14/h5-8,10,13,15H,3-4,9,14H2,1-2H3
InChIKeyBFPDZIZTAVQREM-UHFFFAOYSA-N
XLogP1.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
3-amino-2-(4-ethylphenoxy)pentan-1-ol
CID 104840555
3-amino-2-(4-butylphenoxy)-3-cyclopropylpropan-1-ol
CID 114358352
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
2-(4-hexan-2-yloxyphenyl)ethanol
CID 123674677
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
1-phenyl-2-(4-propylphenoxy)butan-1-ol
CID 63467207
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-propylphenoxy)butan-1-ol?
The IUPAC name of 3-amino-2-(4-propylphenoxy)butan-1-ol (CID 64897888) is 3-amino-2-(4-propylphenoxy)butan-1-ol.
What is the SMILES notation for 3-amino-2-(4-propylphenoxy)butan-1-ol?
The canonical SMILES for 3-amino-2-(4-propylphenoxy)butan-1-ol is CCCc1ccc(OC(CO)C(C)N)cc1.
What is the InChIKey of 3-amino-2-(4-propylphenoxy)butan-1-ol?
The InChIKey is BFPDZIZTAVQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-11-5-7-12(8-6-11)16-13(9-15)10(2)14/h5-8,10,13,15H,3-4,9,14H2,1-2H3.
What are the key properties of 3-amino-2-(4-propylphenoxy)butan-1-ol?
3-amino-2-(4-propylphenoxy)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-propylphenoxy)butan-1-ol is sourced from PubChem (CID 64897888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).