2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol

C15H22FNO2 — CID 114835091

IUPAC2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)C1(CN)CCOCC1
InChIInChI=1S/C15H22FNO2/c1-14(18,10-12-3-2-4-13(16)9-12)15(11-17)5-7-19-8-6-15/h2-4,9,18H,5-8,10-11,17H2,1H3
InChIKeyXNHIBTHMPBVANT-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol

2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol (PubChem CID 114835091) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
PubChem CID114835091
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1cccc(F)c1)C1(CN)CCOCC1
InChIInChI=1S/C15H22FNO2/c1-14(18,10-12-3-2-4-13(16)9-12)15(11-17)5-7-19-8-6-15/h2-4,9,18H,5-8,10-11,17H2,1H3
InChIKeyXNHIBTHMPBVANT-UHFFFAOYSA-N
XLogP1.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
CID 79128874
1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
4-(bromomethyl)-4-[(3-fluorophenyl)methyl]oxane
CID 66049299
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-[4-(aminomethyl)oxan-4-yl]-1-phenylbutan-1-ol
CID 79134639
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-[1-(aminomethyl)-4-ethylcyclohexyl]-1-(3-fluorophenyl)ethanol
CID 79128010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol (CID 114835091) is 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol is CC(O)(Cc1cccc(F)c1)C1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol?
The InChIKey is XNHIBTHMPBVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-14(18,10-12-3-2-4-13(16)9-12)15(11-17)5-7-19-8-6-15/h2-4,9,18H,5-8,10-11,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol?
2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]-1-(3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114835091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).