1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol

C14H21NO3 — CID 62414951

IUPAC1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCC1
InChIInChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3
InChIKeyXVCUSWKUFUUVDV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds7

About 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol

1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 62414951) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID62414951
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCOc1ccccc1OCC(O)CNC1CCC1
InChIInChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3
InChIKeyXVCUSWKUFUUVDV-UHFFFAOYSA-N
XLogP1.58
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63364012
1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
(2R)-1-(2-bromophenoxy)-3-(cyclohexylamino)propan-2-ol
CID 804670
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 63296623
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
1-cyclopentyl-2-(2-methoxyphenoxy)ethanol
CID 113449278
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol (CID 62414951) is 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol is COc1ccccc1OCC(O)CNC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is XVCUSWKUFUUVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-13-7-2-3-8-14(13)18-10-12(16)9-15-11-5-4-6-11/h2-3,7-8,11-12,15-16H,4-6,9-10H2,1H3.
What are the key properties of 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol?
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 62414951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).