1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol

C15H22FNO2 — CID 62630319

IUPAC1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-17(14-6-9-19-10-7-14)8-5-15(18)12-3-2-4-13(16)11-12/h2-4,11,14-15,18H,5-10H2,1H3
InChIKeyZRAKEXDBCKRMNK-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.36
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol

1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol (PubChem CID 62630319) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
PubChem CID62630319
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C15H22FNO2/c1-17(14-6-9-19-10-7-14)8-5-15(18)12-3-2-4-13(16)11-12/h2-4,11,14-15,18H,5-10H2,1H3
InChIKeyZRAKEXDBCKRMNK-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
3-[cyclohexyl(methyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 62643359
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 91658309
(1R)-3-(1,3-dioxan-2-yl)-1-(3-fluorophenyl)propan-1-ol
CID 97293344
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol (CID 62630319) is 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol is CN(CCC(O)c1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
The InChIKey is ZRAKEXDBCKRMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-17(14-6-9-19-10-7-14)8-5-15(18)12-3-2-4-13(16)11-12/h2-4,11,14-15,18H,5-10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol?
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol is sourced from PubChem (CID 62630319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).