2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol

C16H25NO2 — CID 107270869

IUPAC2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
SMILESCCCC(NCC1(O)CCOC1C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-7-15(14-8-5-4-6-9-14)17-12-16(18)10-11-19-13(16)2/h4-6,8-9,13,15,17-18H,3,7,10-12H2,1-2H3
InChIKeyNBKQVNXHUQHLIF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds6

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

2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol (PubChem CID 107270869) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
PubChem CID107270869
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
SMILESCCCC(NCC1(O)CCOC1C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-3-7-15(14-8-5-4-6-9-14)17-12-16(18)10-11-19-13(16)2/h4-6,8-9,13,15,17-18H,3,7,10-12H2,1-2H3
InChIKeyNBKQVNXHUQHLIF-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
3-[[1-(3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270703
(2S,3R)-3-[(benzylamino)methyl]-2-methyloxolan-3-ol
CID 98041266
3-[[1-(2-chlorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270611
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]hexanoic acid
CID 106102621
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
N'-hydroxy-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-phenylpropanimidamide
CID 106101879
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
CID 103903365
2-methyl-3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]oxolan-3-ol
CID 107270585
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270892
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol (CID 107270869) is 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol is CCCC(NCC1(O)CCOC1C)c1ccccc1.
What is the InChIKey of 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol?
The InChIKey is NBKQVNXHUQHLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-7-15(14-8-5-4-6-9-14)17-12-16(18)10-11-19-13(16)2/h4-6,8-9,13,15,17-18H,3,7,10-12H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol?
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 107270869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).