2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol

C13H20FNO — CID 115252092

IUPAC2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)12(9-16)8-15-7-11-4-3-5-13(14)6-11/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyGBYIQDVPUAYGCV-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.18
Rot. Bonds6

About 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol

2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252092) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252092
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-10(2)12(9-16)8-15-7-11-4-3-5-13(14)6-11/h3-6,10,12,15-16H,7-9H2,1-2H3
InChIKeyGBYIQDVPUAYGCV-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol
CID 115252294
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
1-[(3-fluorophenyl)methylamino]propan-2-yl 2-methoxyacetate
CID 82532910
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol (CID 115252092) is 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CNCc1cccc(F)c1.
What is the InChIKey of 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is GBYIQDVPUAYGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(2)12(9-16)8-15-7-11-4-3-5-13(14)6-11/h3-6,10,12,15-16H,7-9H2,1-2H3.
What are the key properties of 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol?
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).