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

C12H18FNO — CID 111448702

IUPAC3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(8-15)10(2)14-7-11-4-3-5-12(13)6-11/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyOFNBOIHVKOXWSJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.93
Rot. Bonds5

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

3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol (PubChem CID 111448702) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
PubChem CID111448702
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(8-15)10(2)14-7-11-4-3-5-12(13)6-11/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKeyOFNBOIHVKOXWSJ-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
CID 115708475
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
3-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 109482052
2-methyl-3-[(3,4,5-trifluorophenyl)methylamino]butan-1-ol
CID 111448482
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
3-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448490
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol (CID 111448702) is 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol is CC(CO)C(C)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol?
The InChIKey is OFNBOIHVKOXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(8-15)10(2)14-7-11-4-3-5-12(13)6-11/h3-6,9-10,14-15H,7-8H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol?
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 111448702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).