4-[(1-phenylbutylamino)methyl]oxan-4-ol

C16H25NO2 — CID 81130769

IUPAC4-[(1-phenylbutylamino)methyl]oxan-4-ol
SMILESCCCC(NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-6-15(14-7-4-3-5-8-14)17-13-16(18)9-11-19-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3
InChIKeyOOJBGAJBGJRJKD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds6

About 4-[(1-phenylbutylamino)methyl]oxan-4-ol

4-[(1-phenylbutylamino)methyl]oxan-4-ol (PubChem CID 81130769) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(1-phenylbutylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-phenylbutylamino)methyl]oxan-4-ol
PubChem CID81130769
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(1-phenylbutylamino)methyl]oxan-4-ol
SMILESCCCC(NCC1(O)CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-2-6-15(14-7-4-3-5-8-14)17-13-16(18)9-11-19-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3
InChIKeyOOJBGAJBGJRJKD-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

Analyze 4-[(1-phenylbutylamino)methyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
N-[(4-methyloxan-4-yl)methyl]-1-phenylpentan-1-amine
CID 103903365
2-methyl-3-[(1-phenylbutylamino)methyl]oxolan-3-ol
CID 107270869
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
4-[[1-(3-fluorophenyl)propylamino]methyl]oxan-4-ol
CID 114871723
3-[[1-(4-phenoxyphenyl)butylamino]methyl]azetidin-3-ol
CID 166338701
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
(3S)-3-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]oxolan-3-ol
CID 97116089
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776
4-[[1-(3-bromophenyl)ethylamino]methyl]oxan-4-ol
CID 79140113
1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1-phenylpropyl)urea
CID 110936500

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylbutylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-phenylbutylamino)methyl]oxan-4-ol (CID 81130769) is 4-[(1-phenylbutylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-phenylbutylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-phenylbutylamino)methyl]oxan-4-ol is CCCC(NCC1(O)CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(1-phenylbutylamino)methyl]oxan-4-ol?
The InChIKey is OOJBGAJBGJRJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-6-15(14-7-4-3-5-8-14)17-13-16(18)9-11-19-12-10-16/h3-5,7-8,15,17-18H,2,6,9-13H2,1H3.
What are the key properties of 4-[(1-phenylbutylamino)methyl]oxan-4-ol?
4-[(1-phenylbutylamino)methyl]oxan-4-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 4-[(1-phenylbutylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).