1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol

C16H25NO2 — CID 79134639

IUPAC1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCOCC1
InChIInChI=1S/C16H25NO2/c1-2-8-16(18,14-6-4-3-5-7-14)15(13-17)9-11-19-12-10-15/h3-7,18H,2,8-13,17H2,1H3
InChIKeyZRRXHWBYZWCIMN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds5

About 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol

1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol (PubChem CID 79134639) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
PubChem CID79134639
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
SMILESCCCC(O)(c1ccccc1)C1(CN)CCOCC1
InChIInChI=1S/C16H25NO2/c1-2-8-16(18,14-6-4-3-5-7-14)15(13-17)9-11-19-12-10-15/h3-7,18H,2,8-13,17H2,1H3
InChIKeyZRRXHWBYZWCIMN-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-1-phenylbutan-1-ol
CID 79135376
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-1-phenylbutan-1-ol
CID 79125512
1-[1-(aminomethyl)-4-methylcyclohexyl]-1-phenylbutan-1-ol
CID 79135925
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
CID 79135824
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
1-(1-hydroxy-1-phenylbutyl)cyclohexane-1-carbonitrile
CID 79129358
1,4,7,10-tetraoxacyclododecane;bis(triphenylmethanol)
CID 139194210
2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
CID 114835091
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-bromophenyl)ethanol
CID 79126820
2-morpholin-4-yl-2-phenylpentanamide
CID 129053011
3-(4-methylmorpholin-4-ium-4-yl)-1,1-diphenylpropan-1-ol
CID 24840356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol (CID 79134639) is 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol is CCCC(O)(c1ccccc1)C1(CN)CCOCC1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol?
The InChIKey is ZRRXHWBYZWCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-8-16(18,14-6-4-3-5-7-14)15(13-17)9-11-19-12-10-15/h3-7,18H,2,8-13,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol?
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol is sourced from PubChem (CID 79134639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).