3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol

C15H23NO2 — CID 113349154

IUPAC3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
SMILESCCC(Cc1ccccc1)NCC1(O)CCOC1
InChIInChI=1S/C15H23NO2/c1-2-14(10-13-6-4-3-5-7-13)16-11-15(17)8-9-18-12-15/h3-7,14,16-17H,2,8-12H2,1H3
InChIKeyOWWZZNONXUXRKP-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.75
Rot. Bonds6

About 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol

3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 113349154) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
PubChem CID113349154
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol
SMILESCCC(Cc1ccccc1)NCC1(O)CCOC1
InChIInChI=1S/C15H23NO2/c1-2-14(10-13-6-4-3-5-7-13)16-11-15(17)8-9-18-12-15/h3-7,14,16-17H,2,8-12H2,1H3
InChIKeyOWWZZNONXUXRKP-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
3-[[1-(2-methoxyphenyl)propylamino]methyl]oxolan-3-ol
CID 103904872
3-[[1-(2-hydroxyphenyl)ethylamino]methyl]oxolan-3-ol
CID 113383834
3-benzyloxolan-3-ol
CID 63332039
N-[(1-cyclopropylcyclopropyl)methyl]-1-phenylbutan-2-amine
CID 103904112
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101849
3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]oxolan-3-ol
CID 103904882
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]oxolan-3-ol
CID 103904846
2-benzyl-1-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 130164267
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769

Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol (CID 113349154) is 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol is CCC(Cc1ccccc1)NCC1(O)CCOC1.
What is the InChIKey of 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is OWWZZNONXUXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-14(10-13-6-4-3-5-7-13)16-11-15(17)8-9-18-12-15/h3-7,14,16-17H,2,8-12H2,1H3.
What are the key properties of 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol?
3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 249.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-phenylbutan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 113349154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).