3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine

C12H18FNO — CID 79627948

IUPAC3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)9-15-7-10-5-3-4-6-11(10)13/h3-6H,7-9,14H2,1-2H3
InChIKeyILCGNJHBGBRZJD-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.33
Rot. Bonds5

About 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine

3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine (PubChem CID 79627948) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine
PubChem CID79627948
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)COCc1ccccc1F
InChIInChI=1S/C12H18FNO/c1-12(2,8-14)9-15-7-10-5-3-4-6-11(10)13/h3-6H,7-9,14H2,1-2H3
InChIKeyILCGNJHBGBRZJD-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-fluoro-2-(methoxymethoxymethyl)benzene
CID 10920940
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine (CID 79627948) is 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine is CC(C)(CN)COCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine?
The InChIKey is ILCGNJHBGBRZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,8-14)9-15-7-10-5-3-4-6-11(10)13/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine?
3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).