1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

C15H22FNO2 — CID 82743779

IUPAC1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-5-3-4-6-13(12)16/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyBACBQKWFLRLFSD-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.36
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (PubChem CID 82743779) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
PubChem CID82743779
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CCC(O)c1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-5-3-4-6-13(12)16/h3-6,11,14-15,18H,7-10H2,1-2H3
InChIKeyBACBQKWFLRLFSD-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

1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
1-(4-bromo-2-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82781390
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222
1-(3-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743304
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
(2-fluorophenyl)-(2-methyloxolan-3-yl)methanol
CID 115781704
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-ol
CID 55099405

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (CID 82743779) is 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is CC1OCCC1N(C)CCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The InChIKey is BACBQKWFLRLFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11-14(8-10-19-11)17(2)9-7-15(18)12-5-3-4-6-13(12)16/h3-6,11,14-15,18H,7-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-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-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 82743779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).