1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol

C14H21NO3 — CID 130373177

IUPAC1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
SMILESNCCC(O)c1cccc(OCC2(O)CCC2)c1
InChIInChI=1S/C14H21NO3/c15-8-5-13(16)11-3-1-4-12(9-11)18-10-14(17)6-2-7-14/h1,3-4,9,13,16-17H,2,5-8,10,15H2
InChIKeyPWJWXIXEMUMFFL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds6

About 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol

1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol (PubChem CID 130373177) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
PubChem CID130373177
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
SMILESNCCC(O)c1cccc(OCC2(O)CCC2)c1
InChIInChI=1S/C14H21NO3/c15-8-5-13(16)11-3-1-4-12(9-11)18-10-14(17)6-2-7-14/h1,3-4,9,13,16-17H,2,5-8,10,15H2
InChIKeyPWJWXIXEMUMFFL-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide
CID 130372959
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
cis-(1R,3S)-3-[[3-[(1R)-3-amino-1-hydroxypropyl]phenoxy]methyl]cyclohexan-1-ol
CID 25256210
3-amino-1-[3-(oxan-3-ylmethoxy)phenyl]propan-1-ol
CID 123649469
3-amino-1-[3-[(1-oxothian-4-yl)methoxy]phenyl]propan-1-ol
CID 90405447
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol (CID 130373177) is 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol is NCCC(O)c1cccc(OCC2(O)CCC2)c1.
What is the InChIKey of 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol?
The InChIKey is PWJWXIXEMUMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c15-8-5-13(16)11-3-1-4-12(9-11)18-10-14(17)6-2-7-14/h1,3-4,9,13,16-17H,2,5-8,10,15H2.
What are the key properties of 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol?
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol is sourced from PubChem (CID 130373177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).