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

C12H18FNO — CID 111421975

IUPAC1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)12(15)8-14-7-10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyPVAOZSNEWBCXHE-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.93
Rot. Bonds5

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

1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol (PubChem CID 111421975) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
PubChem CID111421975
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-9(2)12(15)8-14-7-10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyPVAOZSNEWBCXHE-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

1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
methyl 5-[(2-fluorophenyl)methylamino]-4-hydroxypentanoate
CID 115123586
2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-6-fluorophenol
CID 103948931
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol (CID 111421975) is 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol?
The InChIKey is PVAOZSNEWBCXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)12(15)8-14-7-10-5-3-4-6-11(10)13/h3-6,9,12,14-15H,7-8H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol?
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-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 1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 111421975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).